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APAC Pharmaceutical, LLC

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Contact: Andy Yao
Web: http://www.apacpharma.com
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Address: 6851 Oak Hall Lane, Suite 101, Columbia, Maryland 21045, USA
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Profile: APAC Pharmaceutical, LLC is a custom chemical and cGMP manufacturing company. We provide chemistry & manufacturing solutions for specialty chemical, pharmaceutical and bio-tech companies. Our specialty product lines are specialty intermediates, metabolites, research reference standards, and drug like compound libraries. These products represent highly characterized compounds of drug substances, impurities, degradation products, metabolites and performance calibrators. Our products include fondaparinux sodium, 2,3,0-(3-pentylidene)-d-gluceraldhyde, 4, 4 -difluoro-cyclohexane carboxylic acid, 1,3,5-tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, (s)-(-)-4-benzyl-2-oxazolidinone, d-(-)-2-aminobutylic acid, and (r)-tert-butanesulfinamide. We are also specialized in the research and production of synthetic peptides. We develop and manufacture custom peptides & custom cGMP peptides. We have a wide range of modified peptides such as those with unnatural amino acid, phosphorylation, terminal modifications and cyclization. We specialize in the modification of nucleosides and nucleotides. We offer a variety of modified and non-modified nucleoside/nucleotide as well as their analogs. We manufacture a variety of aromatic and unsaturated N, O, S heterocyclic ring including heteroaromatic synthons, complex heterocyclic systems & novel heteroaromatic compounds.

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• 2-Amino-6-Thiocyano Benzothiazole
IUPAC Name: (2-amino-1,3-benzothiazol-6-yl) thiocyanate | CAS Registry Number: 7170-77-6
Synonyms: 2-Amino-6-thiocyanatobenzothiazole, 546887_ALDRICH, NSC327380, CID81600, EINECS 230-524-7, 2-Amino-6-benzothiazolyl thiocyanate, 6-Thiocyanato-benzothiazol-2-ylamine, ZINC00341548, NSC 327380, BAS 00328997, ST5223379, Thiocyanic acid, 2-amino-6-benzothiazolyl ester, 196393-88-1

Molecular Formula: C8H5N3S2Molecular Weight: 207.275400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FVNSRFMQXKMHTQ-UHFFFAOYSA-N

• 2-Amino-L-Phenol-4-Sulphonylamide
IUPAC Name: 3-amino-4-hydroxybenzenesulfonamide | CAS Registry Number: 98-32-8
Synonyms: Aminophenol sulfamide, 4-Hydroxymetanilamide, Metanilamide, 4-hydroxy-, o-Aminophenol-p-sulfonamide, 2-Aminophenol-4-sulfonamide, 3-Amino-4-hydroxybenzenesulfonamide, Benzenesulfonamide, 3-amino-4-hydroxy-, NSC4976, Metanilamide, 4-hydroxy- (8CI), CID66814, NSC 4976, 3-Amino-4-hydroxybenzenesulphonamide, EINECS 202-657-0, 3-Amino-4-hydroxy-benzenesulfonamide, ZINC03896051, BAS 00336947, ST5223920, EU-0066943

Molecular Formula: C6H8N2O3SMolecular Weight: 188.204320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: AVQFHKYAVVQYQO-UHFFFAOYSA-N

• 2-Anilino-Phenylacetic Acid
IUPAC Name: 2-(2-anilinophenyl)acetic acid | CAS Registry Number: 70172-33-7
Synonyms: 2-Anilinophenylacetic acid, 2-(2-(phenylamino)phenyl)acetic acid, 2-Phenylaminophenylacetic acid, 2-Anilino-phenylacetic acid, 2-(2-anilinophenyl)acetic Acid, PubChem2214, AC1LGYUI, ACMC-20a9fa, SureCN361662, 2-anilino phenylacetic acid, CHEMBL78188, 2-Phenylaminobenzeneacetic acid, 533769_ALDRICH, CTK7J2429, CHEBI:223179, MolPort-000-591-439, 2-ANILINO PHENYL ACETIC ACID, ANW-63140, SBB065963, AKOS015892915

Molecular Formula: C14H13NO2Molecular Weight: 227.258520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NJFCAWNKWPIBAG-UHFFFAOYSA-N

• 2-Bromo-4-Nitro-6-Chloroaniline
IUPAC Name: 2-bromo-6-chloro-4-nitroaniline | CAS Registry Number: 99-29-6
Synonyms: 2-Bromo-6-chloro-4-nitroaniline, NCIOpen2_005688, 546860_ALDRICH, Aniline, 2-bromo-6-chloro-4-nitro-, Benzenamine, 2-bromo-6-chloro-4-nitro-, NSC88985, EINECS 202-745-9, NSC 88985, ZINC04760197, ST010160, Aniline, 2-bromo-6-chloro-4-nitro- (8CI)

Molecular Formula: C6H4BrClN2O2Molecular Weight: 251.465160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GLUCALKKMFBJEB-UHFFFAOYSA-N

• 2-Chloro-4-Pyridine Carbonitrile
IUPAC Name: 2-chloropyridine-4-carbonitrile | CAS Registry Number: 33252-30-1
Synonyms: 2-Chloro-4-cyanopyridine, 4-Cyano-2-chloropyridine, 2-Chloro-isonicotinonitrile, 548227_ALDRICH, 2-Chloro-4-pyridinecarbonitrile, 2-Chloropyridine-4-carbonitrile, 4-Pyridinecarbonitrile, 2-chloro-, ZINC00154100, FS000570, TL806404, 1Y-0715, AC-907/30003049

Molecular Formula: C6H3ClN2Molecular Weight: 138.554420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N

• 2-Chloro-5-Nitrobenzoic Acid
IUPAC Name: 2-chloro-5-nitrobenzoic acid | CAS Registry Number: 2516-96-3
Synonyms: 2-CHLORO-5-NITROBENZOIC ACID, Benzoic acid, 2-chloro-5-nitro-, 6-Chloro-3-nitrobenzoic acid, 125113_ALDRICH, NSC8441, AIDS019398, BB_SC-2802, AIDS-019398, NSC 8441, EINECS 219-739-7, 2-CHLORO,5-NITRO-BENZOIC ACID, AI3-16578, TL8002047, InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QUEKGYQTRJVEQC-UHFFFAOYSA-N

• 2-Chlorobenzothiazole
IUPAC Name: 2-chloro-1,3-benzothiazole | CAS Registry Number: 615-20-3
Synonyms: BENZOTHIAZOLE, 2-CHLORO-, USAF EK-2784, 2-Chloro-1,3-benzothiazole, 167576_ALDRICH, WLN: T56 BN DSJ CG, NSC 8442, EINECS 210-415-0, NSC8442, AIDS019691, AIDS-019691, BRN 0116316, ZINC00152274, AI3-63118, AC 17349, LS-40712, 4-27-00-01072 (Beilstein Handbook Reference), InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4

Molecular Formula: C7H4ClNSMolecular Weight: 169.631360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BSQLQMLFTHJVKS-UHFFFAOYSA-N

• 2-Cyano-3-Methylpyridine
IUPAC Name: 3-methylpyridine-2-carbonitrile | CAS Registry Number: 20970-75-6
Synonyms: 3-Methylpicolinonitrile, Ambap2278, 2-Cyano-3-methylpyridine, 512737_ALDRICH, 3-methyl-2-pyridinecarbonitrile, ZINC00335976, CID819928, C165, AN-584/42118739, InChI=1/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WBXZCDIZXWDPBL-UHFFFAOYSA-N

• 2-Cyano-4-Nitro-6-Bromo Aniline
IUPAC Name: 2-amino-3-bromo-5-nitrobenzonitrile | CAS Registry Number: 17601-94-4
Synonyms: 516929_ALDRICH, 2-Amino-3-bromo-5-nitrobenzonitrile, ZINC03878826, CID87173, EINECS 241-574-4, 2-Amino-3-bromo-1-cyano-5-nitrobenzene, Benzonitrile, 2-amino-3-bromo-5-nitro-, ST010156

Molecular Formula: C7H4BrN3O2Molecular Weight: 242.029560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MUHLVSZIVTURCZ-UHFFFAOYSA-N

• 2-Cyanopiperidine
IUPAC Name: piperidine-2-carbonitrile | CAS Registry Number: 42457-10-3
Synonyms: 2-cyanopiperidine, Piperidine-2-carbonitrile, Pipecolonitrile, 2-piperidinecarbonitrile, (S)-2-CYANOPIPERIDINE, 2-Cyano-piperidinehydrochloride, pipecolinonitrile, PubChem23031, AC1L4DP0, AGN-PC-00MLC8, SureCN4824916, PIPERIDINE CARBONITRILE, (2S)-piperidine-2-carbonitrile, MolPort-003-983-323, (+/-)-2-CYANOPIPERIDINE, ANW-75173, SBB066879, AKOS001297611, AB13841, AK-39015

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAVXLTMRALFZIS-UHFFFAOYSA-N

• 2-Ethyl-5-Nitro Imidazole
IUPAC Name: 2-methyl-5-nitro-1H-imidazole | CAS Registry Number: 696-23-1
Synonyms: Menidazole, 2-Methyl-4-nitroimidazole, 2-Methyl-5-nitroimidazole, Imidazole, 2-methyl-4-nitro-, Imidazole, 2-methyl-5-nitro-, 5-Nitro-2-methyl imidazole, 1H-Imidazole, 2-methyl-4-nitro-, 2-Methyl-5-nitro-1H-imidazole, EINECS 211-790-3, AIDS398397, AIDS-398397, CID12760, RP 8532, STK320516, ZINC02031392, ZINC04807239, 2-METHYL-4-NITRO-1H-IMIDAZOLE, 2-Methyl-5-nitro-1H-imidazole (9CI), LS-78792, ST5331253

Molecular Formula: C4H5N3O2Molecular Weight: 127.101400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FFYTTYVSDVWNMY-UHFFFAOYSA-N

• 2-Ethyl-4-Methylimidazole
IUPAC Name: 2-ethyl-5-methyl-1H-imidazole | CAS Registry Number: 931-36-2
Synonyms: 2-Ethyl-4-methylimidazole, 4-Methyl-2-ethylimidazole, Imidazole, 2-ethyl-4-methyl-, 1H-Imidazole, 2-ethyl-4-methyl-, Imidazole C-2 deriv. 2, E36652_ALDRICH, MLS001074880, EINECS 213-234-5, NSC 82315, NSC82315, SBB004334, ZINC04555707, Imidazole, 2-ethyl-4-methyl- (8CI), LS-78707, SMR000568404, InChI=1/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8, 65992-40-7, 81833-71-8

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ULKLGIFJWFIQFF-UHFFFAOYSA-N

• 2-Ethylimidazole
IUPAC Name: 2-ethyl-1H-imidazole | CAS Registry Number: 1072-62-4
Synonyms: Imidazole, 2-ethyl-, 1H-Imidazole, 2-ethyl-, 239348_ALDRICH, EINECS 214-011-5, 2EZ, 81833-72-9

Molecular Formula: C5H8N2Molecular Weight: 96.130420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PQAMFDRRWURCFQ-UHFFFAOYSA-N

• 2'-Hydroxy-3-Phenylpropiophenone
IUPAC Name: 1-(2-hydroxyphenyl)-3-phenylpropan-1-one | CAS Registry Number: 3516-95-8
Synonyms: 2'-Hydroxy-3-phenylpropiophenone, 102288_ALDRICH, o-Hydroxy-.beta.-phenyl propiophenone, o-Hydroxy-beta-phenyl propiophenone, EINECS 222-521-4, 1-(2-Hydroxyphenyl)-3-phenylpropan-1-one, TL8002620, 42772-82-7

Molecular Formula: C15H14O2Molecular Weight: 226.270460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JCPGMXJLFWGRMZ-UHFFFAOYSA-N

• 2-Mercaptan Benzamidazole
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione | CAS Registry Number: 583-39-1
Synonyms: Antiegene MB, 2-Mercaptobenzimidazole, 2-Benzimidazolethiol, Antioxidant MB, Antigene MB, Antigen MB, o-Phenylenethiourea, Benzimidazolethiol, Permanax 21, 2-Thiobenzimidazole, Mercaptobenzimidazole, Mercaptobenzoimidazole, Anitiegene MB, AOMB, 2-Thiol benzimidazole, 2-Benzimidazolinethione, ASM MB, Merkaptobenzimidazol, 1H-Benzimidazole-2-thiol, Benzimidazole-2-thiol

Molecular Formula: C7H6N2SMolecular Weight: 150.200940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: YHMYGUUIMTVXNW-UHFFFAOYSA-N

• 2-Mercapto-5-Methoxybenzimidazole
IUPAC Name: 5-methoxy-1,3-dihydrobenzimidazole-2-thione | CAS Registry Number: 37052-78-1
Synonyms: Maybridge1_006266, MLS000083176, 5-Methoxy-2-benzimidazolethiol, 382485_ALDRICH, BB_SC-1604, EINECS 253-326-2, SBB000219, ZINC00058273, ZINC00389869, SMR000046769, TL8002732, 5-methoxy-1,3-dihydrobenzimidazole-2-thione, 5-methoxy-1H-benzimidazol-2-yl hydrosulfide, 1,3-Dihydro-5-methoxy-2H-benzimidazole-2-thione, AN-829/05700007, SR-01000534899-3, InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12

Molecular Formula: C8H8N2OSMolecular Weight: 180.226920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: KOFBRZWVWJCLGM-UHFFFAOYSA-N

• 2-Mercaptobenzothiazole
IUPAC Name: 3H-1,3-benzothiazole-2-thione | CAS Registry Number: 149-30-4
Synonyms: Captax, Sulfadene, Dermacid, Thiotax, Kaptax, Mertax, Rotax, Accelerator M, Mebetizole, Mebithizol, Kaptaks, Vulkacit M, Benzothiazolethiol, Rokon, Ekagom G, mebetizol, Accel M, 2-Benzothiazolethiol, Soxinol M, Vulkacit Mercapto

Molecular Formula: C7H5NS2Molecular Weight: 167.251300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: YXIWHUQXZSMYRE-UHFFFAOYSA-N

• 2-Methyl-3-Aminobenzoic Acid
IUPAC Name: 3-amino-2-methylbenzoate | CAS Registry Number: 52130-17-3
Synonyms: 2-methyl-3-aminobenzoic acid, TPC-I004, ZINC00389566, CID6950343

Molecular Formula: C8H8NO2-Molecular Weight: 150.154620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BYHMLZGICSEKIY-UHFFFAOYSA-M

• 2-Methyl-4-Methoxy-Diphenylamine (ANMT)
IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline | CAS Registry Number: 41317-15-1
Synonyms: CBMicro_015444, Oprea1_800706, MLS000061199, 4-Methoxy-N-phenyl-o-toluidine, 4-Methoxy-2-Methyl Diphenylamine, 4-methoxy-2-methyl-N-phenylaniline, EINECS 255-310-0, ZINC00236039, (4-methoxy-2-methylphenyl)phenylamine, Benzenamine, 4-methoxy-2-methyl-N-phenyl-, SMR000069267, BIM-0015468.P001, TL8006524

Molecular Formula: C14H15NOMolecular Weight: 213.275000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CYMPUOGZUXAIMY-UHFFFAOYSA-N

• 2-Methylindole
IUPAC Name: 2-methyl-1H-indole | CAS Registry Number: 95-20-5
Synonyms: 2-METHYLINDOLE, 2-Methyl-1H-indole, Indole, 2-methyl-, 1H-Indole, 2-methyl-, M51407_ALDRICH, Indole, 2-methyl- (8CI), ARONIS020142, NSC 7514, EINECS 202-398-3, NSC7514, ZINC01088076, AI3-03945, LS-83246, LS-83247, ST040425, TL8005985, M-3895, InChI=1/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H, 2MI

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N

• 2-Nitrochlorobenzene
IUPAC Name: 1-chloro-2-nitrobenzene | CAS Registry Number: 88-73-3
Synonyms: 2-Chloronitrobenzene, o-Chloronitrobenzene, Altitran, Chloronitrobenzene, Nitrochlorobenzene, o-Nitrochlorobenzene, ONCB, Mononitrochlorobenzene, Benzene, 1-chloro-2-nitro-, Benzene, chloronitro-, 1-CHLORO-2-NITROBENZENE, 2-Chloro-1-nitrobenzene, Chloro-o-nitrobenzene, 1-Nitro-2-chlorobenzene, CHLORONITROBENZENES, WLN: WNR BG, CCRIS 141, 2-CNB, ghl.PD_Mitscher_leg0.936, HSDB 1322

Molecular Formula: C6H4ClNO2Molecular Weight: 157.554460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BFCFYVKQTRLZHA-UHFFFAOYSA-N

• 2-Nonanone
IUPAC Name: nonan-2-one | CAS Registry Number: 821-55-6
Synonyms: 2-NONANONE, Heptyl methyl ketone, Nonan-2-one, beta-Nonanone, Methyl heptyl ketone, Ketone, heptyl methyl, .beta.-Nonanone, 2-Nonanone (natural), METHYL N-HEPTYL KETONE, FEMA No. 2785, n-HEPTYL METHYL KETONE, W278505_ALDRICH, W278513_ALDRICH, 108731_ALDRICH, WLN: 7V1, 52000_FLUKA, 63969_FLUKA, EINECS 212-480-0, NSC 14760, NSC14760

Molecular Formula: C9H18OMolecular Weight: 142.238620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VKCYHJWLYTUGCC-UHFFFAOYSA-N

• 2-Octanone
IUPAC Name: octan-2-one | CAS Registry Number: 111-13-7
Synonyms: 2-OCTANONE, n-Hexyl methyl ketone, Octan-2-one, Hexyl methyl ketone, Octanone, 2-Oxooctane, Methyl hexyl ketone, Methyl n-hexyl ketone, 2-Octanone (natural), FEMA Number 2802, FEMA No. 2802, HSDB 5545, W280208_ALDRICH, O4709_SIAL, NSC 3712, 02479_FLUKA, EINECS 203-837-1, NSC3712, NSC5936, BRN 0635843

Molecular Formula: C8H16OMolecular Weight: 128.212040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZPVFWPFBNIEHGJ-UHFFFAOYSA-N

• 3-(N,N-Dihydroxyethyl)Amino-4-Methoxy Acetanilide
IUPAC Name: N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide | CAS Registry Number: 24530-67-4
Synonyms: 556742_ALDRICH, EINECS 246-300-7, 4-Acetylamino-2-(bis(2-hydroxyethyl)amino)anisole, 3'-[Bis(2-hydroxyethyl)amino]-4'-methoxyacetamilde, N-(3-(Bis(2-hydroxyethyl)amino)-4-methoxyphenyl)acetamide, Acetamide, N-(3-(bis(2-hydroxyethyl)amino)-4-methoxyphenyl)-, 58195-14-5

Molecular Formula: C13H20N2O4Molecular Weight: 268.308900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: UIQVGOZJVVAPOV-UHFFFAOYSA-N

• 3,4,5-Trichlorobenzotrifluoride
IUPAC Name: 1,2,3-trichloro-5-(trifluoromethyl)benzene | CAS Registry Number: 50594-82-6
Synonyms: EINECS 256-636-6, T109, ST5405198, 1,2,3-Trichloro-5-(trifluoromethyl)benzene, InChI=1/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2

Molecular Formula: C7H2Cl3F3Molecular Weight: 249.444990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FBKFIAIRSQOXJR-UHFFFAOYSA-N

• 3,4,5-Trimethoxy Benzoic Acid
IUPAC Name: 3,4,5-trimethoxybenzoic acid | CAS Registry Number: 118-41-2
Synonyms: Eudesmic acid, Trimethylgallic acid, Gallic acid trimethyl ether, Tri-O-methylgallic acid, Spectrum_000082, SpecPlus_000919, Veratric acid, 5-methoxy-, Spectrum2_000791, Spectrum3_000260, Spectrum4_001625, Spectrum5_000409, 3,4,5-TRIMETHOXYBENZOIC ACID, Benzoic acid, 3,4,5-trimethoxy-, Oprea1_180796, BSPBio_001680, CBDivE_013176, CBDivE_014084, KBioGR_002029, KBioSS_000502, T69000_ALDRICH

Molecular Formula: C10H12O5Molecular Weight: 212.199280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SJSOFNCYXJUNBT-UHFFFAOYSA-N

• 3,4,5-Trimethoxy Ethyl Benzoate
IUPAC Name: ethyl 3,4,5-trimethoxybenzoate | CAS Registry Number: 6178-44-5
Synonyms: NSC26825, ZINC01634150, ST5406898

Molecular Formula: C12H16O5Molecular Weight: 240.252440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UEOFNBCUGJADBM-UHFFFAOYSA-N

• 3,4,5-Trimethoxy Methyl Benzoate
IUPAC Name: methyl 3,4,5-trimethoxybenzoate | CAS Registry Number: 1916-07-0
Synonyms: Methyl tri-O-methylgallate, Methyl 3,4,5-trimethoxybenzoate, Trimethylgallic acid methyl ester, M86006_ALDRICH, 3,4,5-Trimethoxybenzoic acid, methyl ester, EINECS 217-629-3, NSC 16955, NSC16955, BRN 2218156, ZINC00057165, BENZOIC ACID, 3,4,5-TRIMETHOXY-, METHYL ESTER, AI3-21154, LS-38496, METHYL-3,4,5-TRIMETHOXY BENZOATE, 3,4,5-Trimethoxybenzoic acid methyl ester, ST5307960, 4-10-00-01999 (Beilstein Handbook Reference), AF-684/30328043, InChI=1/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H

Molecular Formula: C11H14O5Molecular Weight: 226.225860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KACHFMOHOPLTNX-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzaldehyde (TMBA)
IUPAC Name: 3,4,5-trimethoxybenzaldehyde | CAS Registry Number: 86-81-7
Synonyms: 3,4,5-TRIMETHOXYBENZALDEHYDE, Benzaldehyde, 3,4,5-trimethoxy-, T68403_ALDRICH, 92140_FLUKA, EINECS 201-701-6, BENZALDEHYDE,3,4,5-TRIMETHOXY-, NSC 16692, AIDS017928, AIDS-017928, NSC16692, BRN 0395163, SBB016338, ZINC02504375, AI3-36673, LS-25170, TL8005630, 4-08-00-02719 (Beilstein Handbook Reference), InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OPHQOIGEOHXOGX-UHFFFAOYSA-N

• 3,4-Dichloroaniline
IUPAC Name: 3,4-dichloroaniline | CAS Registry Number: 95-76-1
Synonyms: 3,4-DICHLOROANILINE, 3,4-Dichloranilin, 4,5-Dichloroaniline, 3,4-Dichloraniline, 3,4-Dichlorobenzenamine, Benzenamine, 3,4-dichloro-, m.p-Dichloroaniline, Aniline, 3,4-dichloro-, m,p-dichloroaniline, 3,4-Dichlorophenylamine, 1-Amino-3,4-dichlorobenzene, 3,4-DCA, DCA (VAN), WLN: ZR CG DG, 34-DICHLOROANILINE, 4-Amino-1,2-dichlorobenzene, CCRIS 2395, nchembio.2007.32-comp5, HSDB 1319, MLS002152880

Molecular Formula: C6H5Cl2NMolecular Weight: 162.016600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N

• 3,4-Dichlorobenzyl Chloride
IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene | CAS Registry Number: 102-47-6
Synonyms: 3,4-Dichlorobenzyl chloride, alpha,3,4-Trichlorotoluene, Toluene, .alpha.,3,4-trichloro-, .alpha.,3,4-Trichlorotoluene, 259179_ALDRICH, 35510_FLUKA, Benzene, 1,2-dichloro-4-(chloromethyl)-, 3,4-Dichlorophenylmethyl chloride, EINECS 203-033-0, NSC406893, NSC 406893, Toluene, alpha,3,4-trichloro- (8CI), 1,2-DICHLORO-4-(CHLOROMETHYL)BENZENE, AI3-14887, ST5214094, TL8000123, InChI=1/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H

Molecular Formula: C7H5Cl3Molecular Weight: 195.473600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YZIFVWOCPGPNHB-UHFFFAOYSA-N

• 3,4-Methylene Dioxy Benzene
IUPAC Name: 1,3-benzodioxole | CAS Registry Number: 274-09-9
Synonyms: Benzodioxole, 1,3-BENZODIOXOLE, 1,3-Dioxaindan, 1,3-Dioxindan, Methylenedioxybenzene, 1,3-Benzodioxolane, 1,2-Methylenedioxybenzene, 2H-1,3-Benzodioxole, 3,4-Methylenedioxybenzene, o-Methylenedioxybenzene, o-(Methylenedioxy)benzene, (Methylenedioxy)benzene, 1,2-(Methylenedioxy)benzene, Benzene, 1,2-methylenedioxy-, Benzene, 1,2-(methylenedioxy)-, ghl.PD_Mitscher_leg0.1027, 159166_ALDRICH, WLN: T56 BO DO CHJ, CHEBI:38732, EINECS 205-992-0

Molecular Formula: C7H6O2Molecular Weight: 122.121340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FTNJQNQLEGKTGD-UHFFFAOYSA-N

• 3,5-Dibenzyloxybenzoic Acid
IUPAC Name: 3,5-bis(phenylmethoxy)benzoic acid | CAS Registry Number: 28917-43-3
Synonyms: 3,5-dibenzyloxybenzoic acid, MLS001195542, Benzoic acid, 3,5-dibenzyloxy-, 3,5-Bis(phenylmethoxy)benzoic acid, EINECS 249-311-5, NSC210283, Benzoic acid, 3,5-bis(phenylmethoxy)-, 3,5-bis(benzyloxy)benzenecarboxylic acid, SMR000550298, TL8005877, 5W-0042

Molecular Formula: C21H18O4Molecular Weight: 334.365220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DHQIBPUGSWVDOH-UHFFFAOYSA-N

• 3,5-Dibromobenzoic Acid
IUPAC Name: 3,5-dibromobenzoic acid | CAS Registry Number: 618-58-6
Synonyms: 3,5-Dibromobenzoic acid, Maybridge1_003318, BENZOIC ACID, 3,5-DIBROMO-, 411523_ALDRICH, 33960_FLUKA, BRN 1940691, CID12063, LS-36758, ST5319508, TL8003964, 4-09-00-01028 (Beilstein Handbook Reference), InChI=1/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11

Molecular Formula: C7H4Br2O2Molecular Weight: 279.913460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SFTFNJZWZHASAQ-UHFFFAOYSA-N

• 3,5-Dichloro Benzonitrile
IUPAC Name: 3,5-dichlorobenzonitrile | CAS Registry Number: 6575-00-4
Synonyms: 3,5-Dichlorobenzonitrile, Benzonitrile, 3,5-dichloro-, 139394_ALDRICH, EINECS 229-495-3, NSC109596, ZINC00159427, AI3-34463, ST5308522, TL8004663, InChI=1/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3

Molecular Formula: C7H3Cl2NMolecular Weight: 172.011420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PUJSUOGJGIECFQ-UHFFFAOYSA-N

• 3,5-Dichlorobenzoic Acid
IUPAC Name: 3,5-dichlorobenzoic acid | CAS Registry Number: 51-36-5
Synonyms: 3,5-DICHLOROBENZOIC ACID, Benzoic acid, 3,5-dichloro-, DICHLOROBENZOIC ACID, PS1107_SUPELCO, D57507_ALDRICH, 35321_FLUKA, EINECS 200-092-4, BRN 2044776, LS-155, AI3-27555, NCGC00091834-01, ST5308119, 4-09-00-01008 (Beilstein Handbook Reference), InChI=1/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11, 75248-87-2

Molecular Formula: C7H4Cl2O2Molecular Weight: 191.011460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CXKCZFDUOYMOOP-UHFFFAOYSA-N

• 3,5-Dihydroxy-4-Methylbenzoic Acid
IUPAC Name: 3,5-dihydroxy-4-methylbenzoic acid | CAS Registry Number: 28026-96-2
Synonyms: 3,5-Dihydroxy-4-methylbenzoic acid, CID2748045, ST5407062, TL8002237, InChI=1/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KMRRXSZDSGYLCD-UHFFFAOYSA-N

• 3,5-Dihydroxy-A-Bromoacetophenone
IUPAC Name: 2-bromo-1-(3,5-dihydroxyphenyl)ethanone | CAS Registry Number: 62932-92-7
Synonyms: 2-bromo-1-(3,5-dihydroxyphenyl)ethanone, 3',5'-Dihydroxyphenacyl bromide, 3,5-Dihydroxy-alfa-bromoacetophenone, ZINC02507126, zlchem 1042, AC1MBUOV, CTK5B6704, ZLD0508, AKOS015960607, AB13915, AG-G-32108, KB-168651, Ethanone,2-bromo-1-(3,5-dihydroxyphenyl)-, FT-0640857, 1-[3,5-bis(oxidanyl)phenyl]-2-bromanyl-ethanone, A834099, 2-BROMO-1-(3,5-DIHYDROXYPHENYL)ETHAN-1-ONE, ETHANONE, 2-BROMO-1-(3,5-DIHYDROXYPHENYL)-, 2-Bromo-1-(3,5-dihydroxyphenyl)ethanone;3,5-Dihydroxy-A'A|AfA-bromoacetophenone;3',5'-Dihydroxyphenacyl bromide;

Molecular Formula: C8H7BrO3Molecular Weight: 231.043380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WUXKAYZEXYAYIT-UHFFFAOYSA-N

• 3,5-Dimethoxy Benzamide
IUPAC Name: 3,5-dimethoxybenzamide | CAS Registry Number: 17213-58-0
Synonyms: 3,5-Dimethoxybenzamide, Benzamide, 3,5-dimethoxy-, Oprea1_549641, D131202_ALDRICH, AIDS018407, AIDS-018407, NSC16615, EINECS 241-257-0, ZINC00161726, ST5406388, TL8001354, InChI=1/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11

Molecular Formula: C9H11NO3Molecular Weight: 181.188540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YTLRWVNYANKXOW-UHFFFAOYSA-N

• 3,5-Dimethoxybenzoic Acid
IUPAC Name: 3,5-dimethoxybenzoic acid | CAS Registry Number: 1132-21-4
Synonyms: 3,5-DIMETHOXYBENZOIC ACID, Benzoic acid, 3,5-dimethoxy-, D132004_ALDRICH, NSC8514, AIDS018092, AIDS-018092, NSC 8514, NSC43744, EINECS 214-473-8, NSC 43744, SBB007798, AI3-52341, TL8000393, AK-968/40724491, InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IWPZKOJSYQZABD-UHFFFAOYSA-N

• 3,5-Dimethoxybenzoyl Hydrazine
IUPAC Name: 3,5-dimethoxybenzohydrazide | CAS Registry Number: 51707-38-1
Synonyms: 3,5-Dimethoxybenzoylhydrazine, AIDS018528, AIDS-018528, 3,5-Dimethoxybenzoic acid hydrazide, NSC525793, STK281624, ZINC00394889, 3,5-Dimethoxybenzoic acid, hydrazide, 3,5-DIMETHOXYBENZOIC HYDRAZIDE, Benzoic acid, 3,5-dimethoxy hydrazide, TL8003420

Molecular Formula: C9H12N2O3Molecular Weight: 196.203180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DOWVACHORBOSEF-UHFFFAOYSA-N

• 3,9-Dibromo Benzanthrone
IUPAC Name: 3,9-dibromobenzo[a]phenalen-7-one | CAS Registry Number: 81-98-1
Synonyms: 3,9-Dibrombenzanthrone, 3,9-Dibromobenzanthrone, 2,7-Dibromomesobenzanthrone, Benzanthrone, 3,9-dibromo-, 6-Bz-1-dibrombenzanthron, 6-Bz-1-Dibrombenzanthron [Czech], STOCK3S-48269, EINECS 201-391-2, NSC 84191, NSC84191, BRN 2055712, ZINC04578281, 3,9-Dibromo-7H-benz(de)anthracen-7-one, 3,9-Dibromo-benzo[de]anthracen-7-one, 7H-Benz(de)anthracen-7-one, 3,9-dibromo-, BAS 00112015, LS-27948, 3,9-Dibromo-7H-benz[de]anthracen-7-one, WLN: L C6666 1A Q IVJ FE OE, 7H-Benz[de]anthracen-7-one, 3,9-dibromo-

Molecular Formula: C17H8Br2OMolecular Weight: 388.052820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XBZKJGBIPSQKAU-UHFFFAOYSA-N

• 3-Chloro-4-Fluorobromobenzene
IUPAC Name: 4-bromo-2-chloro-1-fluorobenzene | CAS Registry Number: 60811-21-4
Synonyms: 4-Bromo-2-chloro-1-fluorobenzene, 3-chloro-4-fluorobromobenzene, 1-Bromo-3-chloro-4-fluorobenzene, 3-Chloro-4-fluorobenzene bromide, 4-Bromo-2-chlorofluorobenzene, ST50408594, PubChem2169, ACMC-209mma, AC1MT0NM, SureCN330695, KSC493O4N, 4-bromo-2-chloro-fluorobenzene, 432229_ALDRICH, CTK3J3746, MolPort-000-151-812, OTAVA-BB 1287445, AKOS 91987, ACT12570, 3-Chloro-4-fluorobromobenzene 98%, ANW-33584

Molecular Formula: C6H3BrClFMolecular Weight: 209.443423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CJTIWGBQCVYTQE-UHFFFAOYSA-N

• 3-Hydroxy Thiophenol
IUPAC Name: 3-sulfanylphenol | CAS Registry Number: 40248-84-8
Synonyms: 3-Hydroxythiophenol, 3-sulfanylphenol, 3-Mercaptophenol, 3-Hydroxybenzenethiol, 3-Hydroxy thiophenol, 3-Sulphanylphenol, PubChem6829, Phenol, 3-mercapto-, ACMC-209jca, AC1MC5YX, SureCN21502, KSC235M9N, 568899_ALDRICH, Jsp006961, CTK1D5696, DOFIAZGYBIBEGI-UHFFFAOYSA-, MolPort-001-757-023, ANW-29336, OR0777, AKOS007930181

Molecular Formula: C6H6OSMolecular Weight: 126.176240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DOFIAZGYBIBEGI-UHFFFAOYSA-N

• 3-Hydroxy-2-Methylbenzoic Acid
IUPAC Name: 3-hydroxy-2-methylbenzoic acid | CAS Registry Number: 603-80-5
Synonyms: 3,2-Cresotic acid, NCIOpen2_000440, NSC73133, CID252023

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RIERSGULWXEJKL-UHFFFAOYSA-N

• 3-Indole Acetic Acid
IUPAC Name: 2-(1H-indol-3-yl)acetic acid | CAS Registry Number: 87-51-4
Synonyms: indoleacetic acid, Heteroauxin, Rhizopin, 3-Indoleacetic acid, auxin, indole-3-acetic acid, indoleacetate, Hexteroauxin, Rhizopon A, 1H-Indole-3-acetic acid, indole-3-acetate, Acetic acid, indolyl-, 3-Iaa, beta-Indoleacetic acid, 3-(Carboxymethyl)indole, Heteroauxinhexteroauxiniaa, alpha-IAA, beta-Indolylacetic acid, Indol-3-ylacetic acid, beta-IAA

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SEOVTRFCIGRIMH-UHFFFAOYSA-N

• 3-Methoxy Thiophenol
IUPAC Name: 3-methoxybenzenethiol | CAS Registry Number: 15570-12-4
Synonyms: 3-Methoxythiophenol, 3-Mercaptoanisole, 3-Methoxy thiophenol, 3-Methoxybenzenethiol, m-Methoxythiophenol, meta-Methoxybenzenethiol, Ambap7255, 155705_ALDRICH, EINECS 239-617-7, TL8006751, Y11037

Molecular Formula: C7H8OSMolecular Weight: 140.202820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QMVAZEHZOPDGHA-UHFFFAOYSA-N

• 3-Methoxy-4-Methylbenzoic Acid
IUPAC Name: 3-methoxy-4-methylbenzoic acid | CAS Registry Number: 7151-68-0
Synonyms: 4-Methyl-m-anisic acid, 3-Methoxy-4-methylbenzoic acid, 3-Methoxy-p-toluic acid, Benzoic acid, 3-methoxy-4-methyl-, NCIOpen2_000379, M15052_ALDRICH, NSC70224, EINECS 230-486-1, ST5405630, TL8005016, InChI=1/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CEAVPXDEPGAVDA-UHFFFAOYSA-N

• 4-Chloro-3-Nitrobenzoic Acid
IUPAC Name: 4-chloro-3-nitrobenzoic acid | CAS Registry Number: 96-99-1
Synonyms: 3-Nitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-3-nitro-, WLN: WNR BG EVQ, 4-CHLORO-3-NITROBENZOIC ACID, CCRIS 3126, C60007_ALDRICH, NSC 8440, 25450_FLUKA, EINECS 202-550-9, NSC8440, Kyselina 4-chloro-3-nitrobenzoova, BRN 0783626, SBB000404, 4-CHLORO-3-NITROBENZOIC ACIC, Kyselina 4-chloro-3-nitrobenzoova [Czech], LS-36572, TL8006017, 4-09-00-01226 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DFXQXFGFOLXAPO-UHFFFAOYSA-N

• 3-Nitro-4-Methylbenzoic Acid
IUPAC Name: 4-methyl-3-nitrobenzoic acid | CAS Registry Number: 96-98-0
Synonyms: 4-Methyl-3-nitrobenzoic acid, 3-Nitro-p-toluic acid, m-Nitro-p-toluic acid, 3-Nitro-para-toluic acid, p-Toluic acid, 3-nitro-, 3-Nitro-4-methylbenzoic acid, Benzoic acid, 4-methyl-3-nitro-, Oprea1_315455, MLS002152889, 151408_ALDRICH, 68026_FLUKA, EINECS 202-549-3, NSC 50659, p-Toluic acid, 3-nitro- (8CI), NSC50659, 4-METHYL-3-NITRO BENZOIC ACID, 4-METHYL-3-NITRO-BENZOIC ACID, LS-2015, NCGC00091412-01, SMR001224501

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BBEWSMNRCUXQRF-UHFFFAOYSA-N


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