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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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• 1-Methyl-3-Nitrophthalate
IUPAC Name: 2-methoxycarbonyl-6-nitrobenzoic acid | CAS Registry Number: 21606-04-2
Synonyms: 2-(methoxycarbonyl)-6-nitrobenzoic acid, 1-Methyl-3-nitrophthalate, 3-nitro-2-Carboxyl methyl benzoate, ST50170924, 1,2-Benzenedicarboxylicacid, 3-nitro-1-methylester, AC1NACBV, SureCN2598194, BEN007, Jsp004386, CTK8C0052, Methyl 2-carboxy-3-nitrobenzoate, methyl 3-nitro-2-carboxylbenzoate, MolPort-000-519-133, ANW-63954, RW3124, 2-methoxycarbonyl-6-nitrobenzoic acid, 3-Nitro-phthalic acid 1-Methyl ester, AKOS002268896, 2-Nitro-6-methoxycarbonyl benzoic acid, AC-4830

Molecular Formula: C9H7NO6Molecular Weight: 225.154980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DJMQLZPEBHSABD-UHFFFAOYSA-N

• 3,5-Dichloro-4-fluoronitrobenzene
IUPAC Name: 1,3-dichloro-2-fluoro-5-nitrobenzene | CAS Registry Number: 3107-19-5
Synonyms: ZINC02504546, CID76554, EINECS 221-466-3, 1,3-Dichloro-2-fluoro-5-nitrobenzene, SL-00584, TL80074054

Molecular Formula: C6H2Cl2FNO2Molecular Weight: 209.989983 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VMAATSFMXSMKPG-UHFFFAOYSA-N

• 4-Amino-2,5-Dimethoxy-N-Methyl-BenzeneSulfonamide
IUPAC Name: 4-amino-2,5-dimethoxy-N-methylbenzenesulfonamide | CAS Registry Number: 49701-24-8
Synonyms: EINECS 256-435-3, TL8003303, 4-Amino-2,5-dimethoxy-N-methylbenzenesulphonamide, N-Methyl-4-amino-2,5-dimethoxybenzenesulfonamide, Benzenesulfonamide, 4-amino-2,5-dimethoxy-N-methyl-

Molecular Formula: C9H14N2O4SMolecular Weight: 246.283460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: CISVVDNATRQDNU-UHFFFAOYSA-N

• 2-Amino-4,6-dihydroxy-5-methylpyrimidine
IUPAC Name: 2-amino-4-hydroxy-5-methyl-1H-pyrimidin-6-one | CAS Registry Number: 55477-35-5
Synonyms: Oprea1_306579, NSC60209, CID81111, EINECS 229-597-8, EINECS 259-660-5, SBB005534, ZINC05123840, 2-Amino-5-methyl-1H,5H-pyrimidine-4,6-dione, 2-Amino-6-hydroxy-5-methyl-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 2-amino-6-hydroxy-5-methyl-, 6627-65-2

Molecular Formula: C5H7N3O2Molecular Weight: 141.127980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: OTFOORSARCXWKK-UHFFFAOYSA-N

• 2-Methoxy-5-nitrophenol
IUPAC Name: 2-methoxy-5-nitrophenol | CAS Registry Number: 636-93-1
Synonyms: 5-Nitroguaiacol, ghl.PD_Mitscher_leg0.1131, 329274_ALDRICH, 3-Hydroxy-4-methoxynitrobenzene, 65136_FLUKA, EINECS 211-269-0, ZINC00295034, ST5408114, TL8004458, InChI=1/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H

Molecular Formula: C7H7NO4Molecular Weight: 169.134780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KXKCTSZYNCDFFG-UHFFFAOYSA-N

• 2-Chloro-5-trichloromethylpyridine
IUPAC Name: 2-chloro-5-(trichloromethyl)pyridine | CAS Registry Number: 69045-78-9
Synonyms: ZINC00226188, 2-chloro-5-(trichloromethyl)pyridine, Pyridine, 2-chloro-5-(trichloromethyl)-, 2-CHLORO-5-TRICHLOROMETHYLPYRIDINE, ST5036736, EU-0033517

Molecular Formula: C6H3Cl4NMolecular Weight: 230.906720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VLJIVLGVKMTBOD-UHFFFAOYSA-N

• 2-Amino-4-(1,1-dimethylbutyl)-6-nitrophenol
IUPAC Name: 2-amino-4-(2-methylbutan-2-yl)-6-nitrophenol | CAS Registry Number: 83488-02-2
Synonyms: EINECS 280-465-6, CID5743751, 2-Amino-6-nitro-4-(tert-pentyl)phenol

Molecular Formula: C11H16N2O3Molecular Weight: 224.256340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WLJLENRIPLYJSZ-UHFFFAOYSA-N

• 4-Hydroxycyclohexanecarboxylic acid
IUPAC Name: 4-hydroxycyclohexane-1-carboxylic acid | CAS Registry Number: 17419-81-7
Synonyms: 4-Hchc, CHEBI:16817, trans-4-Hydroxycyclohexanecarboxylate, SBB007787, FR-0335, trans-4-hydroxycyclohexanecarboxylic acid, C04404, Cyclohexanecarboxylic acid, 4-hydroxy-, trans-, 3685-26-5

Molecular Formula: C7H12O3Molecular Weight: 144.168380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HCFRWBBJISAZNK-UHFFFAOYSA-N

• 2'-Deoxy-5-FluoroUridine (FUDR)
IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 50-91-9
Synonyms: floxuridine, Floxuridin, Fluorodeoxyuridine, FdUrd, Deoxyfluorouridine, FUDR, 5-Fluorodeoxyuridine, 5 Fluorodeoxyuridine, 2'-Deoxy-5-fluorouridine, 5-FdUrd, Fluoruridine deoxyribose, 5-Fluoro-dUrd, 5FdU, FDUR, Floxuridinum [INN-Latin], 5-Fluoro-2'-deoxyuridine, Floxiridina [INN-Spanish], 5-Fluoro-2-desoxyuridine, Floxuridine [USAN:INN], 5-FUDR

Molecular Formula: C9H11FN2O5Molecular Weight: 246.192443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ODKNJVUHOIMIIZ-RRKCRQDMSA-N

• 2-Amino-5-Bromo Pyridine
IUPAC Name: 5-bromopyridin-2-amine | CAS Registry Number: 1072-97-5
Synonyms: 2-Amino-5-bromopyridine, 5-bromopyridin-2-amine, 5-Bromo-2-pyridylamine, Maybridge1_001149, 5-bromopyridin-2-ylamine, 2-Pyridinamine, 5-bromo-, 122858_ALDRICH, EINECS 214-019-9, NSC26282, SBB003823, TL806353, LS-184905, AJ-333/25022117

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N

• 2,4,5-Trifluoro Benzonitrile
IUPAC Name: 2,4,5-trifluorobenzonitrile | CAS Registry Number: 98349-22-5
Synonyms: 2,4,5-Trifluorobenzonitrile, 328200_ALDRICH, JRD-0620, ZINC00389514, ST5306865, TL8006041

Molecular Formula: C7H2F3NMolecular Weight: 157.092690 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DLKNOGQOOZFICZ-UHFFFAOYSA-N

• 5-Fluoroisatin
IUPAC Name: 5-fluoro-1H-indole-2,3-dione | CAS Registry Number: 443-69-6
Synonyms: Isatin-based compound, 32, 5-Fluoro-1H-indole-2,3-dione, 366978_ALDRICH, ZERO/000347, AIDS163137, AIDS-163137, ALBB-002980, NSC39161, ZINC01671161, TL8003090, F-5600

Molecular Formula: C8H4FNO2Molecular Weight: 165.121263 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GKODDAXOSGGARJ-UHFFFAOYSA-N

• 1-Acetyl-4-(4-Hydroxyphenyl)-Piperazine
IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone | CAS Registry Number: 67914-60-7
Synonyms: Oprea1_786576, 511943_ALDRICH, 1-Acetyl-4-(4-hydroxyphenyl)piperazine, ZINC00105363, EINECS 267-744-8, CID712441, SBB003353, SDCCGMLS-0066236.P001, TL8004782

Molecular Formula: C12H16N2O2Molecular Weight: 220.267640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-N

• 2,3,4-Trifluoroaniline
IUPAC Name: 2,3,4-trifluoroaniline | CAS Registry Number: 3862-73-5
Synonyms: 2,3,4-Trifluoranilin, Aniline, 2,3,4-trifluoro-, Benzenamine, 2,3,4-trifluoro-, 304352_ALDRICH, 2,3,4-Trifluoranilin [Danish], 2,3,4-Trifluoranilin [German], 2,3,4-Trifluoraniline [Dutch], 2,3,4-Trifluoroaniline [French], 2,3,4-Trifluoroanilina [Italian], 2,3,4-Trifluoroanilina [Spanish], JRD-0607, BRN 3245609, SBB012347, ZINC00164526, 2,3,4-Trifluoroanilina [Portuguese], LS-28441, EE4071709, TL8002814, 4-12-00-01114 (Beilstein Handbook Reference), 3S211006

Molecular Formula: C6H4F3NMolecular Weight: 147.097870 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WRDGNXCXTDDYBZ-UHFFFAOYSA-N

• 2,3,5-Trimethylpyridine
IUPAC Name: 2,3,5-trimethylpyridine | CAS Registry Number: 695-98-7
Synonyms: 2,3,5-COLLIDINE, Pyridine, 2,3,5-trimethyl-, 513261_ALDRICH, ZINC02031394, CID12759, EINECS 211-786-1, TL8004882

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GFYHSKONPJXCDE-UHFFFAOYSA-N

• 2,4-Difluorobromobenzene
IUPAC Name: 1-bromo-2,4-difluorobenzene | CAS Registry Number: 348-57-2
Synonyms: 1-Bromo-2,4-difluorobenzene, Benzene, 1-bromo-2,4-difluoro-, 1-Bromo-2,4-difluoro-benzene, 263443_ALDRICH, CID67674, JRD-0065, EINECS 206-479-4, TL806164, ST5405337, InChI=1/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3

Molecular Formula: C6H3BrF2Molecular Weight: 192.988826 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MGHBDQZXPCTTIH-UHFFFAOYSA-N

• 2-Amino-4-Cresol
IUPAC Name: 2-amino-4-methylphenol | CAS Registry Number: 95-84-1
Synonyms: 2-Amino-p-cresol, 2-Amino-4-methylphenol, 6-Hydroxy-m-toluidine, p-Cresol, 2-amino-, 3-Amino-4-hydroxytoluene, 4-Methyl-2-aminophenol, 2-Hydroxy-5-methylaniline, 5-Methyl-2-hydroxyaniline, Phenol, 2-amino-4-methyl-, Ambap3038, O-AMINO-P-CRESOL, CCRIS 4581, 144908_ALDRICH, p-Cresol, 2-amino- (8CI), EINECS 202-457-3, CID7264, NSC7630, NSC 60737, AIDS019904, AIDS-019904

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZMXYNJXDULEQCK-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

• 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

• 3,5-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

• 4-(N-Methyl-N-Cyanoethyl) Aminobenzaldehyde
IUPAC Name: 3-(4-formyl-N-methylanilino)propanenitrile | CAS Registry Number: 94-21-3
Synonyms: 523860_ALDRICH, EINECS 202-315-0, 4-[(2-Cyanoethyl)methylamino]benzaldehyde, 4-((2-Cyanoethyl)methylamino)benzaldehyde, 3-((4-Formylphenyl)methylamino)propiononitrile, Propanenitrile, 3-((4-formylphenyl)methylamino)-, Propanenitrile, 3-[(4-formylphenyl)methylamino]-, P-IN-(2-CYANOETHYL)-METHYLAMINO)-BENZALDEHYDE

Molecular Formula: C11H12N2OMolecular Weight: 188.225780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DNRTTXXWWAKULZ-UHFFFAOYSA-N

• 5-Amino Isophthalic Acid
IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid | CAS Registry Number: 99-31-0
Synonyms: 5-Aminoisophthalic acid, Isophthalic acid, 5-amino-, Oprea1_005424, 186279_ALDRICH, NSC60141, 1,3-Benzenedicarboxylic acid, 5-amino-, CID66833, EINECS 202-748-5, Isophthalic acid, 5-amino- (8CI), NSC 60141, 5-Aminobenzene-1,3-dicarboxylic acid, ST5308594, 5-AMINO-1,3-BENZENEDICARBOXYLIC ACID

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: KBZFDRWPMZESDI-UHFFFAOYSA-N

• 5-Hydroxyisophthalic Acid
IUPAC Name: 5-hydroxybenzene-1,3-dicarboxylic acid | CAS Registry Number: 618-83-7
Synonyms: 5-Hydroxyisophthalic acid, 5-Oxyisophthalic acid, 5-Hydroxyisosphthalic acid, Isophthalic acid, 5-hydroxy-, 311278_ALDRICH, 1,3-Benzenedicarboxylic acid, 5-hydroxy-, EINECS 210-565-7, NSC 302088, 5-Hydroxy-1,3-benzenedicarboxylic acid, BRN 2693561, NSC302088, LS-29776, Isophthalic acid, 5-hydroxy- (6CI,7CI,8CI), ST5307230, TL8003969, 4-10-00-02098 (Beilstein Handbook Reference)

Molecular Formula: C8H6O5Molecular Weight: 182.130240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: QNVNLUSHGRBCLO-UHFFFAOYSA-N

• 5-Nitro Salicylal
IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde | CAS Registry Number: 97-51-8
Synonyms: 5-Nitrosalicylaldehyde, 2-Hydroxy-5-nitrobenzaldehyde, Salicylaldehyde, 5-nitro-, Benzaldehyde, 2-hydroxy-5-nitro-, Oprea1_813586, NSC 881, 275352_ALDRICH, NSC881, 55967_FLUKA, EINECS 202-587-0, BTB 04054, SBB003885, AI3-52608, Salicylaldehyde, 5-nitro- (6CI,7CI,8CI), LS-25077, AH-034/32841024

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IHFRMUGEILMHNU-UHFFFAOYSA-N

• 3,3'-Dihydroxy diphenyl disulfide
IUPAC Name: 3-[(3-hydroxyphenyl)disulfanyl]phenol | CAS Registry Number: 21101-56-4
Synonyms: Bis(3-hydroxyphenyl) Disulfide, 3,3'-Dihydroxydiphenyl disulfide, 3-[(3-hydroxyphenyl)disulfanyl]phenol, 3,3'-Dithiodiphenol, ACMC-209fhl, AC1MC4YI, Phenol, 3,3'-dithiobis-, 549312_ALDRICH, Jsp004320, 3,3'-Dihydroxydiphenyldisulphide, CTK1A1383, MolPort-001-768-641, ANW-24343, OR4665, ZINC02243468, AKOS015898662, AG-E-54843, RP28906, AC-11521, L403

Molecular Formula: C12H10O2S2Molecular Weight: 250.336600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XBNOMKROXZGMFW-UHFFFAOYSA-N

• 5-Aminobenzimidazolone
IUPAC Name: 5-amino-1,3-dihydrobenzimidazol-2-one | CAS Registry Number: 95-23-8
Synonyms: Oprea1_319016, Oprea1_759802, 2-Benzimidazolinone, 5-nitro-, ZERO/004605, EINECS 202-401-8, ZINC00191686, 5-Amino-1,3-dihydro-2H-benzimidazol-2-one, BAS 00993374, 5-Amino-1,3-dihydro-benzoimidazol-2-one, TL8005987, EU-0078496, 2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-, 2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-, 40352-51-0

Molecular Formula: C7H7N3OMolecular Weight: 149.149980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: BCXSVFBDMPSKPT-UHFFFAOYSA-N

• 2,3-difluorobenzaldehyde
IUPAC Name: 2,3-difluorobenzaldehyde | CAS Registry Number: 2646-91-5
Synonyms: 2,3-Difluorobenzaldehyde, 265144_ALDRICH, ZINC02539336, JRD-0425, CID137664, SBB006572, TL8002115

Molecular Formula: C7H4F2OMolecular Weight: 142.102866 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WDBAXYQUOZDFOJ-UHFFFAOYSA-N

• 2,4-difluorobenzoic acid
IUPAC Name: 2,4-difluorobenzoic acid | CAS Registry Number: 1583-58-0
Synonyms: 2,4-Difluorobenzoic acid, Ambap1792, 2,4-Difluoro-benzoic acid, Benzoic acid, 2,4-difluoro-, 2,4-DIFLUOROBENZOATE, 264296_ALDRICH, NSC10312, CID74102, JRD-0116, EINECS 216-430-9, TL806420, InChI=1/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NJYBIFYEWYWYAN-UHFFFAOYSA-N

• 4-Chloro-1,8-Naphthalic Anhydride
Synonyms: 4-Chloronaphthalic anhydride, 4-Chloro-1,8-naphthalic anhydride, 02228_FLUKA, EINECS 223-760-7, Naphthalic anhydride, 4-chloro- (7CI,8CI), LS-95514, 4-Chloronaphthalene-1,8-dicarboxylic anhydride, ST5308339, 6-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione, 6-Chloronaphtho[1,8,8a-c,d]pyran-1,3-dione, 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-chloro-, 6-Chloro-1H,3H-benzo[de]isochromene-1,3-dione, AH-034/32464018

Molecular Formula: C12H5ClO3Molecular Weight: 232.619300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UJEUBSWHCGDJQU-UHFFFAOYSA-N

• 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene
IUPAC Name: 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)benzene | CAS Registry Number: 115571-66-9
Synonyms: 3,4-dichloro-2-nitro-6-(trifluoromethyl)toluene, 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)benzene, SBB063831, 3,4-Dichloro-6-trifluoromethyl-2-nitrotoluene, Benzene, 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)-, Benzene,1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)-, PubChem4542, ACMC-1BSWN, AC1MY7MN, KSC509G8F, CTK4A9382, MolPort-001-772-766, ANW-51570, ZINC02540239, AKOS005762908, AG-D-36642, AC-11249, AK-46544, BR-46544, KB-70090

Molecular Formula: C8H4Cl2F3NO2Molecular Weight: 274.024070 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: IBRWCYHTODRXJR-UHFFFAOYSA-N

• 2,4-Dinitrobenzaldehyde
IUPAC Name: 2,4-dinitrobenzaldehyde | CAS Registry Number: 528-75-6
Synonyms: Benzaldehyde, 2,4-dinitro-, Ambap7499, CCRIS 2684, D193607_ALDRICH, EINECS 208-440-7, NSC 36948, NSC36948, BRN 1878706, ZINC01669669, LS-25036, 3-07-00-00923 (Beilstein Handbook Reference), CS-002/03852018

Molecular Formula: C7H4N2O5Molecular Weight: 196.117060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZILXIZUBLXVYPI-UHFFFAOYSA-N

• 4-Nitro-1-naphthol
IUPAC Name: 4-nitronaphthalen-1-ol | CAS Registry Number: 605-62-9
Synonyms: 1-Naphthalenol, 4-nitro-, NSC400336, CID343829, ST5408514

Molecular Formula: C10H7NO3Molecular Weight: 189.167480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AUIRNGLMBHIITH-UHFFFAOYSA-N

• 5-Bromoacetylsalicylamide
IUPAC Name: 5-(2-bromoacetyl)-2-hydroxybenzamide | CAS Registry Number: 73866-23-6
Synonyms: Ambap1028, 5-(Bromoacetyl)salicylamide, 5-(Bromoacetyl)-2-hydroxybenzamide, EINECS 277-626-8, Benzamide, 5-(bromoacetyl)-2-hydroxy-, BRN 3286223, ZINC02569277, LS-25839, 4-10-00-03636 (Beilstein Handbook Reference)

Molecular Formula: C9H8BrNO3Molecular Weight: 258.068720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VXWSXLSUWGZOHD-UHFFFAOYSA-N

• 2-(2-Chloroethoxy)benzenesulfonamide
IUPAC Name: 2-(2-chloroethoxy)benzenesulfonamide | CAS Registry Number: 82097-01-6
Synonyms: 2-(2-CHLOROETHOXY)-BENZENESULFONAMIDE, 2-(2-Chloroethoxy)benzene sulfonamide, (2-[2-Chloroethoxy]benzensulfonamide), PubChem10616, AGN-PC-00NQQU, SureCN8415243, KSC495S6T, CTK3J5969, MolPort-003-987-261, ZINC02507105, 2-(2-chloroethyloxy)benzenesulfonamide, AKOS008901305, AB13878, AG-H-29029, 2-CHLOROETHOXYBENZENE SULFONAMIDE, Benzenesulfonamide, 2-(2-chloroethoxy)-, AK114403, KB-162349, TL8005439, FT-0641847

Molecular Formula: C8H10ClNO3SMolecular Weight: 235.687900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WAJIUYJWAGLDAC-UHFFFAOYSA-N

• 3,5-Bis(trifluoromethyl)benzylamine
IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine | CAS Registry Number: 85068-29-7
Synonyms: 263389_ALDRICH, JRD-0285, EINECS 285-290-9, SBB000829, [3,5-Bis(trifluoromethyl)phenyl]methanamine, TL8005556

Molecular Formula: C9H7F6NMolecular Weight: 243.148999 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: DHVHORCFFOSRBP-UHFFFAOYSA-N

• (+/-)-Anabasine
IUPAC Name: 3-piperidin-2-ylpyridine | CAS Registry Number: 13078-04-1
Synonyms: Anabasine, Neonicotine, Neonikotin, Anabasin, Anabazin, DL-Anabasine, (+-)-Anabasine, S-(-)-Anabasine, ()-Anabasine, Caswell No. 051, 3-(2-Piperidinyl)pyridine, Piperidine, 2-(3-pyridyl)-, Spectrum_000023, SpecPlus_000616, L-3-(2'-Piperidyl)pyridine, Prestwick0_000669, Prestwick1_000669, Prestwick2_000669, Spectrum2_001792, Spectrum3_001356

Molecular Formula: C10H14N2Molecular Weight: 162.231560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MTXSIJUGVMTTMU-UHFFFAOYSA-N

• 4-(4-Fluorophenyl)butyric acid
IUPAC Name: 5-(4-fluorophenyl)-5-oxopentanoic acid | CAS Registry Number: 149437-76-3
Synonyms: 4-(4-Fluorobenzoyl)butyric Acid, 5-(4-fluorophenyl)-5-oxopentanoic acid, 5-(4-Fluorophenyl)-5-oxovaleric Acid, 4-(4-Fluorobenzoyl)butyricacid, 4-fluorobenzoylbutyric acid, 4-(4-Fluorobenzoyl)butanoic acid, 4-fluorophenyl-5-oxopentanoic acid, 4-(4'-fluorobenzoyl) butyric acid, 4-(4-fluorobenzoyl)-1-butanoic acid, 4-fluoro-gamma-oxo-benzenepentanoic acid, 5-(4'-Fluorophenyl)-5-oxopentanoic acid, FBBA, AC1LENGO, PubChem13246, ACMC-209d2k, SureCN296337, p-Fluorobenzoylbutanoic acid, AC1Q75BX, Oprea1_166432, KSC489Q0D

Molecular Formula: C11H11FO3Molecular Weight: 210.201643 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZBQROUOOMAMCQW-UHFFFAOYSA-N

• (1S,2R)-2-Amino-1,2-diphenylethanol
IUPAC Name: [(1R,2S)-2-hydroxy-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 23364-44-5
Synonyms: ZINC00120672

Molecular Formula: C14H16NO+Molecular Weight: 214.282940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GEJJWYZZKKKSEV-KGLIPLIRSA-O

• 5-Chloro-1-indanone
IUPAC Name: 5-chloro-2,3-dihydroinden-1-one | CAS Registry Number: 42348-86-7
Synonyms: 433071_ALDRICH, ZINC00085658, 1H-Inden-1-one, 5-chloro-2,3-dihydro-, ST5405394, TL8003019

Molecular Formula: C9H7ClOMolecular Weight: 166.604280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MEDSHTHCZIOVPU-UHFFFAOYSA-N

• 2-Phenylbutyric acid
IUPAC Name: 2-phenylbutanoic acid | CAS Registry Number: 90-27-7
Synonyms: 2-Phenylbutanoic acid, Butyric acid, 2-phenyl-, alpha-Ethylphenylacetic acid, alpha-Phenylbutyric acid, alpha-Phenyl butyric acid, Spectrum_001673, SpecPlus_000897, Spectrum2_000510, Spectrum3_001664, Spectrum4_000626, Spectrum5_001396, ()-2-Phenylbutyric acid, .alpha.-Phenylbutyric acid, Benzeneacetic acid, alpha-ethyl-, A-PHENYLBUTYRIC ACID, WLN: QVY2&R, .alpha.-Phenyl butyric acid, BSPBio_003447, KBioGR_001212, KBioSS_002153

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OFJWFSNDPCAWDK-UHFFFAOYSA-N

• 2-(2-Hydroxyethyl)pyridine
IUPAC Name: 2-pyridin-2-ylethanol | CAS Registry Number: 103-74-2
Synonyms: Pyridine-2-ethanol, 2-PYRIDINEETHANOL, 2-Pyridylethanol, 2-(2-Pyridyl)ethanol, 2-pyridin-2-ylethanol, Ambap4520, 2-ETHANOLPYRIDINE, 2-(beta-Hydroxyethyl)pyridine, NCIOpen2_000827, HSDB 5357, 2-(2-Hydroxyethyl)-pyridine, Pyridine, 2-(2-hydroxyethyl)-, 128643_ALDRICH, NSC 2144, EINECS 203-140-2, NSC2144, AIDS020381, AIDS-020381, NSC77979, BRN 0111205

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BXGYBSJAZFGIPX-UHFFFAOYSA-N

• 2,3,4,5,6 Pentafluorobenzoic Acid
IUPAC Name: 2,3,4,5,6-pentafluorobenzoic acid | CAS Registry Number: 602-94-8
Synonyms: Pentafluorobenzoic acid, Perfluorobenzoic acid, BENZOIC ACID, PENTAFLUORO-, 2,3,4,5,6-Pentafluorobenzoic acid, P5360_ALDRICH, NCIOpen2_005348, 76700_FLUKA, CHEBI:46796, EINECS 210-026-6, NSC 88337, NSC88337, BRN 2054395, LS-38107, P107, ST5307987, TL8003818, 4-09-00-00956 (Beilstein Handbook Reference)

Molecular Formula: C7HF5O2Molecular Weight: 212.073656 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: YZERDTREOUSUHF-UHFFFAOYSA-N

• 2-Chloro-3-Methyl Pyridine
IUPAC Name: 2-chloro-3-methylpyridine | CAS Registry Number: 18368-76-8
Synonyms: 2-Chloro-3-methylpyridine, 3-Picoline, 2-chloro-, 518948_ALDRICH, Pyridine, 2-chloro-3-methyl-, EINECS 242-242-1, ZINC00403383, C183, InChI=1/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H

Molecular Formula: C6H6ClNMolecular Weight: 127.571540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RKVUCIFREKHYTL-UHFFFAOYSA-N

• 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine
IUPAC Name: 5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 1004-76-8
Synonyms: 4,5-Diamino-2-thiouracil, 5,6-Diamino-2-thiouracil, D17807_ALDRICH, 4,5-Diamino-6-hydroxy-2-thiopyrimidine, Uracil, 5,6-diamino-2-thio-, ALD-N037856, NSC45759, EINECS 213-727-5, NSC 45759, ZINC00967309, ZINC01081263, 4,5-Diamino-2-mercaptopyrimidin-6-ol, 4,5-Diamino-2-mercaptopyrimidine-6-ol, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, AI3-52253, TL8000054, 5,6-diamino-2-sulfanylpyrimidin-4(3H)-one, Uracil, 5,6-diamino-2-thio- (VAN) (8CI), AC-907/25005461, 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-

Molecular Formula: C4H6N4OSMolecular Weight: 158.181640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: QYSWOQHLIDKEOL-UHFFFAOYSA-N

• 1,1-Cyclohexanediacetic anhydride
IUPAC Name: 9-oxaspiro[5.5]undecane-8,10-dione | CAS Registry Number: 1010-26-0
Synonyms: 553727_ALDRICH, CYCLOHEXANEDIACETIC ANHYDRIDE, SBB008597, ZINC08411625, 3-oxaspiro[5.5]undecane-2,4-dione, 3-Oxaspiro[5,5]undecane-2,4-dione, FR-2308, AN-829/40524982

Molecular Formula: C10H14O3Molecular Weight: 182.216360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XNDSIASQMRYFSW-UHFFFAOYSA-N

• 2,3-Dimethoxybenzonitrile
IUPAC Name: 3,4-dimethoxybenzonitrile | CAS Registry Number: 2024-83-1
Synonyms: Veratronitrile, 3,4-Dimethoxybenzonitrile, 4-Cyanoveratrole, D132306_ALDRICH, 3,4-Dimethoxybenzoic acid nitrile, BENZONITRILE, 3,4-DIMETHOXY-, NSC27016, EINECS 217-969-2, NSC209526, ZINC00336934, ST5214584, AP-065/41884102, 23024-83-1, InChI=1/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OSEQIDSFSBWXRE-UHFFFAOYSA-N

• 2-Fluoro Benzotrifluoride
IUPAC Name: 1-fluoro-2-(trifluoromethyl)benzene | CAS Registry Number: 392-85-8
Synonyms: o-Fluorobenzotrifluoride, 2-Fluorobenzotrifluoride, 1-Fluoro-2-(trifluoromethyl)benzene, 219363_ALDRICH, Benzene, 1-fluoro-2-(trifluoromethyl)-, JRD-0087, NSC10314, EINECS 206-880-4, NSC 10314, o,alpha,alpha,alpha-Tetrafluorotoluene, alpha,alpha,alpha,2-Tetrafluorotoluene, alpha,alpha,alpha,Ar-Tetrafluorotoluene, 1-FLUORO-2-TRIFLUOROMETHYLBENZENE, ST5406530, TL8002835, o,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, .alpha.,.alpha.,.alpha.,o-tetrafluoro-, Toluene, o,.alpha.,.alpha.,.alpha.-tetrafluoro-, InChI=1/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4

Molecular Formula: C7H4F4Molecular Weight: 164.100273 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BGVGHYOIWIALFF-UHFFFAOYSA-N

• 2,3-Dichloro Aniline
IUPAC Name: 2,3-dichloroaniline | CAS Registry Number: 608-27-5
Synonyms: 2,3-DICHLOROANILINE, Dichloroanilines, Aniline, 2,3-dichloro-, Benzenamine, 2,3-dichloro-, 2,3-Dichlorobenzenamine, 2,3-Dichloranilin, DICHLOROANILINE, Ar,ar-dichlorobenzenamine, Benzenamine, ar,ar-dichloro-, D55407_ALDRICH, HSDB 5433, 36701_RIEDEL, 35160_FLUKA, CHEBI:46636, EINECS 210-157-9, NSC 60683, Aniline, 2,3-dichloro- (7CI,8CI), NSC60683, UN1590, ZINC00388504

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

InChIKey: BRPSAOUFIJSKOT-UHFFFAOYSA-N

• 2,6-DichloroPurine
IUPAC Name: 2,6-dichloro-7H-purine | CAS Registry Number: 5451-40-1
Synonyms: 2,6-Dichloropurine, 2, 6-Dichloropurine, Purine, 2,6-dichloro-, 2,6-dichloro-9H-purine, 2,6-Dichloro-1H-purine, 1H-Purine, 2,6-dichloro-, 2,6-DICHLORO PURINE, D73103_ALDRICH, 9H-purine, 2,6-dichloro-, 36390_FLUKA, AIDS021810, BM032, AIDS-021810, NSC18395, EINECS 226-681-6, NSC 18395, SBB000271, ZINC01769175, 1H-Purine, 2,6-dichloro- (9CI), KS-1014

Molecular Formula: C5H2Cl2N4Molecular Weight: 189.002180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N

• 2,6-Dichloro Quinoxaline
IUPAC Name: 2,6-dichloroquinoxaline | CAS Registry Number: 18671-97-1
Synonyms: 2,6-Dichloroquinoxaline, Quinoxaline, 2,6-dichloro-, 636894_ALDRICH, ZINC00046538, CID87748, ST5412101, AE-848/32002050

Molecular Formula: C8H4Cl2N2Molecular Weight: 199.036760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WFOKVKYNVKVWFK-UHFFFAOYSA-N


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