APAC Pharmaceutical, LLC

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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-Methyl Indole-3-Carboxaldehyde
IUPAC Name: 2-methyl-1H-indole-3-carbaldehyde | CAS Registry Number: 5416-80-8
Synonyms: 2-Methyl-3-formylindole, 3-Formyl-2-methylindole, 2-Methylindole-3-carboxaldehyde, 2-Methyl-1H-indole-3-carbaldehyde, 262439_ALDRICH, ARONIS016725, NSC11895, TOS-BB-0651, 1H-Indole-3-carboxaldehyde, 2-methyl-, CID73166, EINECS 226-512-6, Indole-3-carboxaldehyde, 2-methyl-, NSC 11895, SBB015331, ZINC00164956, Indole-3-carboxaldehyde, 2-methyl- (8CI), TL8003556, M-3999, InChI=1/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H

Molecular Formula: C10H9NOMolecular Weight: 159.184560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CYZIVXOEJNAIBS-UHFFFAOYSA-N

• 2-Methyl-4-Isothiazolin-3-One
IUPAC Name: 2-methyl-1,2-thiazol-3-one hydrochloride | CAS Registry Number: 2682-20-4
Synonyms: MLS001332655, MLS001332656, M6045_SIGMA, EINECS 247-499-3, 2-Methyl-4-isothiazolin-3-one hydrochloride, 2-Methyl-3-isothiazolone hydrochloride, SMR000875225, 2-Methyl-2H-isothiazol-3-one hydrochloride, 3(2H)-Isothiazolone, 2-methyl-, hydrochloride, 116680-95-6, 26172-54-3, MIT

Molecular Formula: C4H6ClNOSMolecular Weight: 151.614540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SJXPQSRCFCPWQQ-UHFFFAOYSA-N

• 2-Methyl-5-Amino Phenol
IUPAC Name: 5-amino-2-methylphenol | CAS Registry Number: 2835-95-2
Synonyms: 5-Amino-o-cresol, 5-Amino-2-methylphenol, 4-Amino-2-hydroxytoluene, 2-Hydroxy-p-toluidine, 3-Hydroxy-4-methylaniline, 6-Methyl-3-aminophenol, Ambap7779, Phenol, 5-amino-2-methyl-, CCRIS 4582, 3-AMINO-6-METHYLPHENOL, HSDB 7152, MLS001055501, 225088_ALDRICH, 4-Amino-2-hydroxy-1-methylbenzene, 08334_FLUKA, EINECS 220-618-6, AIDS019905, AIDS-019905, BRN 2802317, ZINC00394645

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

InChIKey: DBFYESDCPWWCHN-UHFFFAOYSA-N

• 2-Phenyl Imidazoline
IUPAC Name: 2-phenyl-4,5-dihydro-1H-imidazole | CAS Registry Number: 936-49-2
Synonyms: 2-Phenylimidazoline, 2-Phenyl-2-imidazoline, 2-IMIDAZOLINE, 2-PHENYL-, 78727_ALDRICH, 1H-Imidazole, 4,5-dihydro-2-phenyl-, EINECS 213-313-4, NSC 54747, NSC54747, BRN 0119250, 2-Phenyl-4,5-dihydro-1H-imidazole, LS-79675, TL8005931, 5-23-06-00425 (Beilstein Handbook Reference), 170013-98-6, 54391-81-0

Molecular Formula: C9H10N2Molecular Weight: 146.189100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BKCCAYLNRIRKDJ-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

• 2,3,4-Trimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoate | CAS Registry Number: 33130-03-9
Synonyms: ZINC00153644, CID5549419

Molecular Formula: C12H13O5-Molecular Weight: 237.228620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZYOPDNLIHHFGEC-FNORWQNLSA-M

• 2,4-Difluoro Benzonitrile
IUPAC Name: 2,4-difluorobenzonitrile | CAS Registry Number: 3939-09-1
Synonyms: 2,4-Difluorobenzonitrile, Benzonitrile, 2,4-difluoro-, 264326_ALDRICH, ZINC00159425, BB_SC-3006, CID77545, JRD-0080, EINECS 223-523-8, 3S210990

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LJFDXXUKKMEQKE-UHFFFAOYSA-N

• 2,4-Dimethyl-6-Tert butyl Phenol
IUPAC Name: 2-tert-butyl-4,6-dimethylphenol | CAS Registry Number: 1879-09-0
Synonyms: Topanol A, Prodox 340, 6-tert-Butyl-2,4-dimethylphenol, 6-tert-Butyl-2,4-xylenol, 2,4-Dimethyl-6-tert-butylphenol, 6-t-Butyl-2,4-xylenol, 2,4-Xylenol, 6-tert-butyl-, 2-tert-Butyl-4,6-dimethylphenol, 6-t-Butyl-2,4-dimethylphenol, NSC 8130, EINECS 217-533-1, NSC8130, CID15884, BRN 1941702, ZINC01586423, Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-, WLN: QR B1 D1 F1X1&1&1, SB 01223, LS-162625, 4-06-00-03442 (Beilstein Handbook Reference)

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OPLCSTZDXXUYDU-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

• 2,6-Dichloro Benzene Sulfonyl Chloride
IUPAC Name: 2,6-dichlorobenzenesulfonyl chloride | CAS Registry Number: 6579-54-0
Synonyms: 2,6-Dichlorobenzenesulfonyl chloride, 2,6-dichlorobenzene-1-sulfonyl chloride, 2,6-Dichlorobenzenesulfonylchloride, 2,6-Dichlorobenzenesulphonyl chloride, SBB055016, 2,6-dichloro-benzenesulfonyl chloride, 2,6-dichlorobenzene sulfonyl chloride, AG-G-47675, PubChem5117, AC1LAWLQ, ACMC-209ns8, DSSTox_CID_29303, DSSTox_RID_83421, DSSTox_GSID_49346, KSC491C3R, 545708_ALDRICH, AC1Q3K70, CTK3J1138, (2,6-dichlorophenyl)chlorosulfone, BUTTPARK 37\11-63

Molecular Formula: C6H3Cl3O2SMolecular Weight: 245.510820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WGGKQIKICKLWGN-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 Pyrazine
IUPAC Name: 2,6-dichloropyrazine | CAS Registry Number: 4774-14-5
Synonyms: 2,6-Dichloropyrazine, Pyrazine, 2,6-dichloro-, 132497_ALDRICH, ZINC02141061, CID78504, EINECS 225-316-8, D2303G1, AI3-61780, ST5412065, TL8003239, InChI=1/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LSEAAPGIZCDEEH-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

• 3,3-Dimethylacrylic Acid
IUPAC Name: 3-methylbut-2-enoic acid | CAS Registry Number: 541-47-9
Synonyms: Senecioic acid, 3-Methylcrotonic acid, SENECIC ACID, 3,3-Dimethylacrylic acid, Crotonic acid, 3-methyl-, 2-Butenoic acid, 3-methyl-, 3-METHYL-2-BUTENOIC ACID, beta-Methylcrotonic acid, 3-methylbut-2-enoic acid, beta,beta-Dimethylacrylic acid, beta,beta-Dimethacrylic acid, beta-Methylcrotonic acid;, .beta.-Methylcrotonic acid, FEMA No. 3187, D138606_ALDRICH, W318701_ALDRICH, WLN: QV1UY1&1, NSC2549, beta,beta-dimethyl acrylic acid, NSC 2549

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YYPNJNDODFVZLE-UHFFFAOYSA-N

• 3,5-Dichlorosalicylic Acid
IUPAC Name: 3,5-dichloro-2-hydroxybenzoic acid | CAS Registry Number: 320-72-9
Synonyms: Salicylic acid, 3,5-dichloro-, 3,5-DICHLOROSALICYLIC ACID, USAF DO-68, 3,5-Dichloro-2-hydroxybenzoic acid, WLN: QVR BQ CG EG, Oprea1_584773, Benzoic acid, 3,5-dichloro-2-hydroxy-, HSDB 5562, 2-Hydroxy-3,5-dichlorobenzoic acid, 254681_ALDRICH, EINECS 206-281-8, NSC 30109, AIDS167492, AIDS-167492, NSC30109, BRN 2210803, SBB003480, AI3-22601, LS-144290, 4-10-00-00213 (Beilstein Handbook Reference)

Molecular Formula: C7H4Cl2O3Molecular Weight: 207.010860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CNJGWCQEGROXEE-UHFFFAOYSA-N

• 3-Amino-4-FluoroBenzotrifluoride
IUPAC Name: 2-fluoro-5-(trifluoromethyl)aniline | CAS Registry Number: 535-52-4
Synonyms: 3-Amino-4-fluorobenzotrifluoride, 2-Fluoro-5-(trifluoromethyl)aniline, 285056_ALDRICH, ALBB-001513, JRD-0384, NSC10327, ZINC01706172, alpha,alpha,alpha,6-Tetrafluoro-m-toluidine, ST5405104, .alpha.,.alpha.,.alpha.,6-Tetrafluoro-m-toluidine

Molecular Formula: C7H5F4NMolecular Weight: 179.114913 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DRKWGMXFFCPZLW-UHFFFAOYSA-N

• 3-Amino-5-MethylIsoxazole
IUPAC Name: 5-methyl-1,2-oxazol-3-amine | CAS Registry Number: 1072-67-9
Synonyms: 5-Methyl-3-isoxazolamine, 3-Amino-5-methylisoxazole, 3-Isoxazolamine, 5-methyl-, 3-Methyl-5-aminoisoxazole, 5-Methyl-3-aminoisoxazole, Isoxazole, 3-amino-5-methyl-, 5-Methylisoxazol-3-ylamine, 5-methylisoxazol-3-amine, 232270_ALDRICH, EINECS 214-013-6, NSC159134, NSC 159134, 3-AMINO-5-METHYL ISOXAZOLE, CID66172, SBB005553, ZINC01610351, AI3-62721, Isoxazole, 3-amino-5-methyl- (8CI), SDCCGMLS-0066220.P001, LS-195291

Molecular Formula: C4H6N2OMolecular Weight: 98.103240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FKPXGNGUVSHWQQ-UHFFFAOYSA-N

• 3-Bromo Benzyl Cyanide
IUPAC Name: 2-(3-bromophenyl)acetonitrile | CAS Registry Number: 31938-07-5
Synonyms: 3-Bromobenzyl cyanide, 3-Bromophenylacetonitrile, (3-Bromophenyl)acetonitrile, 260088_ALDRICH, EINECS 250-867-6, SBB006625, ZINC00409179, ACETONITRILE, (m-BROMOPHENYL)-, InChI=1/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UUZYFBXKWIQKTF-UHFFFAOYSA-N

• 3-Bromocamphor
IUPAC Name: 3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | CAS Registry Number: 76-29-9
Synonyms: Camphor bromide, (+)-3-Bromocamphor, 3-Bromo-d-camphor, 3-Bromo-2-bornanone, d-alpha-Bromocamphor, 3-Bromobornan-2-one, Camphor, 3-bromo-, d-.alpha.-Bromocamphor, Camphor, 3-bromo-, d-, 2-Bornanone, 3-bromo-, CAMPHOR, MONOBROMATED, Camphor, 3-bromo- (6CI), ARONIS005280, Camphor, 3-alpha-bromo-, (+)-, STOCK2S-11038, Camphor, monobromated [USP IX], EINECS 200-950-8, EINECS 233-652-1, ((1R)-endo)-(+)-3-Bromocamphor, NSC 26355

Molecular Formula: C10H15BrOMolecular Weight: 231.129500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NJQADTYRAYFBJN-UHFFFAOYSA-N

• 3-Chloro Fluoro Benzene
IUPAC Name: 1-chloro-3-fluorobenzene | CAS Registry Number: 625-98-9
Synonyms: m-Chlorofluorobenzene, 1-Chloro-3-fluorobenzene, m-Fluorochlorobenzene, 3-Chlorofluorobenzene, Benzene, 1-chloro-3-fluoro-, Ambap5734, 1-Fluoro-3-chlorobenzene, 162299_ALDRICH, BENZENE,1-CHLORO,3-FLUORO, NSC10271, TL8004200, InChI=1/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4ClFMolecular Weight: 130.547363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VZHJIJZEOCBKRA-UHFFFAOYSA-N

• 3-Fluoro Benzyl Amine
IUPAC Name: (3-fluorophenyl)methanamine | CAS Registry Number: 100-82-3
Synonyms: 3-Fluorobenzylamine, Benzylamine der, m-Fluorobenzylamine, Benzylamine, m-fluoro-, (3-fluorobenzyl)amine, Benzenemethanamine, 3-fluoro-, 126896_ALDRICH, AIDS011075, BB_SC-4586, AIDS-011075, ALBB-007577, JRD-0176, EINECS 202-891-3, 658-25-3 (HYDROCHLORIDE)

Molecular Formula: C7H8FNMolecular Weight: 125.143523 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QVSVMNXRLWSNGS-UHFFFAOYSA-N

• 3-Fluoro Benzyl Cyanide
IUPAC Name: 2-(3-fluorophenyl)acetonitrile | CAS Registry Number: 501-00-8
Synonyms: 3-Fluorobenzyl cyanide, m-Fluorophenylacetonitrile, 3-Fluorophenylacetonitrile, Benzeneacetonitrile, 3-fluoro-, (3-Fluorophenyl)acetonitrile, F13355_ALDRICH, M-FLUOROBENZYL CYANIDE, Acetonitrile, (m-fluorophenyl)-, JRD-0527, NSC88318, EINECS 207-918-2, NSC 88318, ZINC00404417, PB240205026, 10036-43-8, InChI=1/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DEJPYROXSVVWIE-UHFFFAOYSA-N

• 3-Fluoro Phenyl Acetic Acid
IUPAC Name: 2-(3-fluorophenyl)acetic acid | CAS Registry Number: 331-25-9
Synonyms: 3-Fluorophenylacetic acid, 3-Fluorophenlacetic acid, m-Fluorophenylacetic acid, (m-Fluorophenyl)acetic acid, Benzeneacetic acid, 3-fluoro-, NCIOpen2_001447, Acetic acid, (m-fluorophenyl)-, 248045_ALDRICH, JRD-0017, NSC88344, EINECS 206-360-7, NSC 88344, TL8002500, PB271215314

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YEAUYVGUXSZCFI-UHFFFAOYSA-N

• 3-Fluorobenzaldehyde
IUPAC Name: 3-fluorobenzaldehyde | CAS Registry Number: 456-48-4
Synonyms: m-Fluorobenzaldehyde, meta-Fluorobenzaldehyde, Benzaldehyde, 3-fluoro-, Benzaldehyde, m-fluoro-, F5005_ALDRICH, 46560_FLUKA, Benzaldehyde, m-fluoro- (8CI), CID68009, CPD-8780, JRD-0340, NSC66830, EINECS 207-266-9, NSC 66830, ZINC00157155, ST5213445, InChI=1/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5

Molecular Formula: C7H5FOMolecular Weight: 124.112403 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PIKNVEVCWAAOMJ-UHFFFAOYSA-N

• 3-Trifluoromethyl Benzyl Chloride
IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene | CAS Registry Number: 705-29-3
Synonyms: 3-(Chloromethyl)benzotrifluoride, 3-(Trifluoromethyl)benzyl chloride, m-Trifluoromethylbenzyl chloride, 167703_ALDRICH, 3-Trifluoromethylbenzyl chloride, NSC5227, m-(Trifluoromethyl)benzyl chloride, JRD-0235, NSC 5227, EINECS 211-884-4, alpha-Chloro-3-trifluoromethyltoluene, Benzene, 1-(chloromethyl)-3-(trifluoromethyl)-, .alpha.-Chloro-3-trifluoromethyltoluene, 1-(Chloromethyl)-3-(trifluoromethyl)benzene, ST5214171, TL8004976, alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene, .alpha.'-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-xylene, m-Xylene, alpha'-chloro-alpha,alpha,alpha-trifluoro-, m-Xylene, .alpha.'-chloro-.alpha.,.alpha.,.alpha.-trifluoro-

Molecular Formula: C8H6ClF3Molecular Weight: 194.581450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XGASTRVQNVVYIZ-UHFFFAOYSA-N

• 3,4-DiaminoAnisole
IUPAC Name: 4-methoxybenzene-1,2-diamine | CAS Registry Number: 102-51-2
Synonyms: 3,4-Diaminoanisole, 4-Methoxy-o-phenylenediamine, 4-Methoxy-1,2-benzenediamine, 4-Methoxy-1,2-diaminobenzene, NCIOpen2_003403, o-Phenylenediamine, 4-methoxy-, 2-amino-4-methoxyphenylamine, 1,2-Benzenediamine, 4-methoxy-, ALBB-006147, NSC62971, BRN 0878789, CID153404, ZINC00152529, 1,2-Benzenediamine, 4-methoxy- (9CI), LS-105867, 4-13-00-01448 (Beilstein Handbook Reference)

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AGAHETWGCFCMDK-UHFFFAOYSA-N

• 3,5-Di(trifluoromethyl) Benzonitrile
IUPAC Name: 3,5-bis(trifluoromethyl)benzonitrile | CAS Registry Number: 27126-93-8
Synonyms: NCIOpen2_005426, 3,5-Bis(trifluoromethyl)benzonitrile, 3,5-di(Trifluoromethyl)benzonitrile, CID96746, NSC88316, EINECS 248-240-7, ZINC00155235, ST5307057, TL8002188, D1144

Molecular Formula: C9H3F6NMolecular Weight: 239.117239 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: CZKHHAOIHXHOSR-UHFFFAOYSA-N

• 3,5-Difluoro Phenol
IUPAC Name: 3,5-difluorophenol | CAS Registry Number: 2713-34-0
Synonyms: 3,5-Difluorophenol, Ambap75, Phenol,3,5-difluoro-, phenol derivative, 6, Phenol, 3,5-difluoro-, 197572_ALDRICH, JRD-0083, ZINC00406989, TL8002192

Molecular Formula: C6H4F2OMolecular Weight: 130.092166 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N

• 3,5-Difluoro Phenyl Acetic Acid
IUPAC Name: 2-(3,5-difluorophenyl)acetic acid | CAS Registry Number: 105184-38-1
Synonyms: 3,5-Difluorophenylacetic acid, 290440_ALDRICH, JRD-0005, SBB006660, TL8000200, InChI=1/C8H6F2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12

Molecular Formula: C8H6F2O2Molecular Weight: 172.128846 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IGGNSAVLXJKCNH-UHFFFAOYSA-N

• 3,5-DihydroxyAcetophenone
IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanone | CAS Registry Number: 51863-60-6
Synonyms: 3,5-Dihydroxyacetophenone, 3',5'-Dihydroxyacetophenone, 224596_ALDRICH, ZINC02242686, EINECS 257-480-1, CID103993, 1-(3,5-Dihydroxyphenyl)ethan-1-one, TL806239, D-3420, InChI=1/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H

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

InChIKey: WQXWIKCZNIGMAP-UHFFFAOYSA-N

• 3,5-Dihydroxy Benzaldehyde
IUPAC Name: 3,5-dihydroxybenzaldehyde | CAS Registry Number: 26153-38-8
Synonyms: 3,5-Dihydroxybenzaldehyde, .alpha.-Resorcylic aldehyde, Benzaldehyde, 3,5-dihydroxy-, 368113_ALDRICH, 37523_FLUKA, CHEBI:50204, EINECS 247-479-4, ZINC02566024, FR-2389, InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N

• 4-Amino-3,5-Dichloroacetophenone
IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)ethanone | CAS Registry Number: 37148-48-4
Synonyms: 4-Amino-3,5-dichloroacetophenone, 536148_ALDRICH, 3,5-Dichloro-4-aminoacetophenone, EINECS 253-368-1, SBB003511, ZINC02561206, 4'-Amino-3',5'-dichloroacetophenone, 1-(4-Amino-3,5-dichlorophenyl)-ethanone, TL8002736, 1-(4-Amino-3,5-dichlorophenyl)ethan-1-one, Ethanone, 1-(4-amino-3,5-dichlorophenyl)-

Molecular Formula: C8H7Cl2NOMolecular Weight: 204.053280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JLPKZJDZXIKSCP-UHFFFAOYSA-N

• 4-Bromo-1,2-Dimethyl Benzene
IUPAC Name: 4-bromo-1,2-dimethylbenzene | CAS Registry Number: 583-71-1
Synonyms: 4-Bromo-o-xylene, 3,4-Xylyl bromide, o-Xylene, 4-bromo-, 3,4-Dimethylbromobenzene, 4-Bromo-1,2-xylene, 4-Bromo-1,2-dimethylbenzene, Benzene, 4-bromo-1,2-dimethyl-, 3,4-Dimethylphenyl bromide, 1-Bromo-3,4-dimethylbenzene, B83800_ALDRICH, NSC60147, EINECS 209-518-3, CID68504, BRN 2040354, o-Xylene, 4-bromo- (6CI,7CI,8CI), AI3-07015, LS-29196, ST5406329, TL8003740, 4-05-00-00928 (Beilstein Handbook Reference)

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QOGHRLGTXVMRLM-UHFFFAOYSA-N

• 4-Fluoro Benzotrifluoride
IUPAC Name: 1-fluoro-4-(trifluoromethyl)benzene | CAS Registry Number: 402-44-8
Synonyms: p-Fluorobenzotrifluoride, 4-Fluorobenzotrifluoride, p-Fluorotrifluoromethylbenzene, NCIOpen2_001285, p-(Trifluoromethyl)fluorobenzene, 1-Fluoro-4-(trifluoromethyl)benzene, 195359_ALDRICH, alpha,alpha,alpha,4-Tetrafluorotoluene, Benzene, 1-fluoro-4-(trifluoromethyl)-, JRD-0200, NSC88289, EINECS 206-944-1, NSC 88289, ZINC00164437, alpha,alpha,alpha,p-Tetrafluorotoluene, Toluene, p,alpha,alpha,alpha-tetrafluoro-, ST5406422, .alpha.,.alpha.,.alpha.,p-Tetrafluorotoluene, p,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, p,.alpha.,.alpha.,.alpha.-tetrafluoro-

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

InChIKey: UNNNAIWPDLRVRN-UHFFFAOYSA-N

• 4-Fluoro Phenyl Sulfonyl Chloride
IUPAC Name: 4-fluorobenzenesulfonyl chloride | CAS Registry Number: 349-88-2
Synonyms: 4-Fluorobenzenesulfonyl chloride, p-Fluorobenzenesulfonyl chloride, 4-Fluorophenylsulfonyl chloride, F6206_ALDRICH, Benzenesulfonyl chloride, 4-fluoro-, Benzenesulfonyl chloride, p-fluoro-, 4-Fluorobenzenesulphonyl chloride, 46670_FLUKA, TOS-BB-1128, EINECS 206-493-0, NSC140128, NSC 140128, P-FLUOROBENZENESULPHONYL CHLORIDE

Molecular Formula: C6H4ClFO2SMolecular Weight: 194.611163 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BFXHJFKKRGVUMU-UHFFFAOYSA-N

• 4-Hydroxyindole
IUPAC Name: 1H-indol-4-ol | CAS Registry Number: 2380-94-1
Synonyms: Hydroxyindole, 4-Indolol, 1H-Indol-4-ol, 4-hydroxyindole, 18, 219878_ALDRICH, EINECS 219-177-2, ZINC00153008, F2313G1, SDCCGMLS-0065859.P001, ST5330636, TL8001968, C02040, H-6000, H-6010

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NLMQHXUGJIAKTH-UHFFFAOYSA-N

• 4-Methyl-5-Hydroxyethyl Thiazole
IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethanol | CAS Registry Number: 137-00-8
Synonyms: Hemineurine, sulfurol, Thiamine thiazole, 5-Thiazoleethanol, 4-methyl-, 4-Methyl-5-thiazolethanol, 4-Methyl-5-hydroxyethylthiazole, 4-METHYL-5-THIAZOLEETHANOL, 5-(2-Hydroxyethyl)-4-methylthiazole, MHT (VAN), 4-Methyl-5-thiazolylethanol, W320404_ALDRICH, 4-Methyl-5-hydroxethylthiazole, FEMA No. 3204, 190675_ALDRICH, 2-(4-Methylthiazol-5-yl)ethanol, 4-methyl-5-(2-hydroxyethyl)-thiazole, NChemBio.2007.13-comp11, CHEBI:17957, CID1136, 4-Methyl-5-(2-hydroxyethyl)thiazole

Molecular Formula: C6H9NOSMolecular Weight: 143.206760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BKAWJIRCKVUVED-UHFFFAOYSA-N

• 4-Nitrophthalic Acid
IUPAC Name: 4-nitrophthalic acid | CAS Registry Number: 610-27-5
Synonyms: 4-Nitrophthalic acid, 5-Nitrophthalic acid, Phthalic acid, 4-nitro-, 274755_ALDRICH, 73775_FLUKA, NSC5395, 1,2-Benzenedicarboxylic acid, 4-nitro-, AIDS019416, BB_SC-0186, AIDS-019416, NSC 5395, EINECS 210-215-3, AI3-08820, ST5307575, InChI=1/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13

Molecular Formula: C8H5NO6Molecular Weight: 211.128400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SLBQXWXKPNIVSQ-UHFFFAOYSA-N

• 4-Phenyl-4-HydroxyPiperidine
IUPAC Name: 4-phenylpiperidin-4-ol | CAS Registry Number: 40807-61-2
Synonyms: 4-Phenyl-4-piperidinol, Ambap1663, 4-Phenylpiperidin-4-ol, 4-Hydroxy-4-phenylpiperidine, 4-Piperidinol, 4-phenyl-, H52201_ALDRICH, NSC71658, 56170_FLUKA, CID96387, EINECS 255-089-0, NSC 71658

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KQKFQBTWXOGINC-UHFFFAOYSA-N

• 5-Chloroisatin
IUPAC Name: 5-chloro-1H-indole-2,3-dione | CAS Registry Number: 17630-76-1
Synonyms: 5-Chloro-1H-indole-2,3-dione, 5-CHLORO ISATIN, Isatin-based compound, 33, 1H-Indole-2,3-dione, 5-chloro-, 140562_ALDRICH, AIDS163138, AIDS-163138, EINECS 241-614-0, NSC135811, SBB003741, ZINC01722141, NSC 135811, 1H-Indole-2,3-dione, 5-chloro- (9CI), C-5120, AE-848/31767042, InChI=1/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12

Molecular Formula: C8H4ClNO2Molecular Weight: 181.575860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XHDJYQWGFIBCEP-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

• 5-Hydroxy Indole
IUPAC Name: 1H-indol-5-ol | CAS Registry Number: 1953-54-4
Synonyms: 5-Hydroxyindole, 1H-Indol-5-ol, INDOL-5-OL, 5-Hydroxy-1H-indole, Hydroxy-5 indole, 5-Indolol, Hydroxy-5 indole [French], CCRIS 4422, NCIOpen2_001272, WLN: T56 BMJ GQ, 1H-Indol-5-ol (9CI), H31859_ALDRICH, Hydroxy-5 indole [French], MLS000039632, 5-HI, EINECS 217-782-6, NSC 87503, NSC87503, BRN 0112349, NSC-87503

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LMIQERWZRIFWNZ-UHFFFAOYSA-N

• 6-Amino-2,4-Dichloro pyrimidine
IUPAC Name: 2,6-dichloropyrimidin-4-amine | CAS Registry Number: 10132-07-7
Synonyms: 4-Amino-2,6-dichloropyrimidine, 4-Pyrimidinamine, 2,6-dichloro-, 6-Amino-2,4-dichloropyrimidine, 2,6-Dichloropyrimidin-4-amine, 679070_ALDRICH, NSC51667, EINECS 233-369-3, NSC 51667, Pyrimidine, 4-amino-2,6-dichloro-, SBB015042, ZINC01682788, TL8000086, Pyrimidine, 4-amino-2,6-dichloro- (8CI)

Molecular Formula: C4H3Cl2N3Molecular Weight: 163.992720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UPVBKNZVOJNQKE-UHFFFAOYSA-N

• 6-Chloro Benzoxazolone
IUPAC Name: 6-chloro-3H-1,3-benzoxazol-2-one | CAS Registry Number: 19932-84-4
Synonyms: 6-Chlorobenzoxazolone, 6-Chlorobenzoxazolinone, 6-Chloro-2-benzoxazolone, 6-Chloro-2-benzoxazolinone, 2(3H)-Benzoxazolone, 6-chloro-, 2-BENZOXAZOLINONE, 6-CHLORO-, 33673_RIEDEL, 6-Chlorobenzoxazol-2(3H)-one, 6-Chloro-3H-benzooxazol-2-one, HOE 54014, NSC 26191, NSC664284, AIDS143475, AIDS-143475, NSC26191, BRN 0135505, SBB003865, ZINC00031220, 6-Chloro-1,3-benzoxazol-2(3H)-one, AC 29726

Molecular Formula: C7H4ClNO2Molecular Weight: 169.565160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MATCZHXABVLZIE-UHFFFAOYSA-N

• 6-Hydroxy-2,4,5-Triaminopyrimidine
IUPAC Name: 2,5,6-triamino-1H-pyrimidin-4-one | CAS Registry Number: 1004-75-7
Synonyms: ChemDiv1_000151, 2,4,5-Triamino-6-pyrimidinol, 2,5,6-Triamino-4-pyrimidinol, 2,5,6-Triamino-4-oxopyrimidine, 2,5,6-Triaminopyrimidin-4-ol, 2,4,5-Triamino-6-oxypyrimidine, 2,5,6-Triamino-4-pyrimidol, 6-Hydroxy-2,4,5-triaminopyrimidine, 2,4,5-Triaminopyrimidin-6(1H)-one, 4(1H)-Pyrimidinone, 2,5,6-triamino-, NSC 9313, 2,5,6-Triamino-4-pyrimidinone, EINECS 213-725-4, 2,4,5-Triamino-6-hydroxypyrimidine, NSC9313, AIDS019723, 2,5,6-Triamino-4(1H)-pyrimidinone, AIDS-019723, EINECS 254-393-0, ZINC01699914

Molecular Formula: C4H7N5OMolecular Weight: 141.131280 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: SYEYEGBZVSWYPK-UHFFFAOYSA-N

• 3,4-Dichlorophenylacetonitrile
IUPAC Name: 2-(3,4-dichlorophenyl)acetonitrile | CAS Registry Number: 3218-49-3
Synonyms: 3,4-Dichlorobenzyl cyanide, 232475_ALDRICH, 35530_FLUKA, (3,4-Dichlorophenyl)acetonitrile, Benzeneacetonitrile, 3,4-dichloro-, EINECS 221-743-9, NSC111725, ZINC00164770, FS000811, AI3-12074, ST5406497, TL8002447, InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H

Molecular Formula: C8H5Cl2NMolecular Weight: 186.038000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QWZNCAFWRZZJMA-UHFFFAOYSA-N

• 2,3,5-Trimethylphenol
IUPAC Name: 2,3,5-trimethylphenol | CAS Registry Number: 697-82-5
Synonyms: Isopseudocumenol, Trimethylphenol, 2,3,5-TRIMETHYLPHENOL, Phenol, 2,3,5-trimethyl-, Ambap7241, 6-HYDROXYPSEUDOCUMENE, 1-Hydroxy-2,3,5-trimethylbenzene, T78603_ALDRICH, 34308_RIEDEL, 92690_FLUKA, CHEBI:38570, NSC5296, NSC 5296, EINECS 211-806-9, ZINC01235982, Phenol, 2,3,5(or 3,4,5)-trimethyl-, TL8004904, B10001, InChI=1/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H, 70969-66-3

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OGRAOKJKVGDSFR-UHFFFAOYSA-N

• 4-Hydroxyquinoline
IUPAC Name: 1H-quinolin-4-one | CAS Registry Number: 611-36-9
Synonyms: 4-Quinolinol, Quinolin-4-ol, Kynurine, 4-Chinolinol, Quinoline, 4-hydroxy-, Fragment 18, quinolin-4(1H)-one, 4(1H)-Quinolinone, CCRIS 4329, Oprea1_521432, 4-Quinolinol (8CI,9CI), H58005_ALDRICH, NSC 3183, CHEBI:15815, EINECS 210-268-2, NSC3183, AIDS020542, KUC100207N, AIDS-020542, BRN 1524969

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PMZDQRJGMBOQBF-UHFFFAOYSA-N

• 3,4,5-Trifluorophenol
IUPAC Name: 3,4,5-trifluorophenol | CAS Registry Number: 99627-05-1
Synonyms: Ambap7730, 51092_FLUKA, 65987_FLUKA, ZINC02584330, JRD-0229, CID2777943, TL8006074

Molecular Formula: C6H3F3OMolecular Weight: 148.082630 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZRTWIJKGTUGZJY-UHFFFAOYSA-N

• 6-Chloro-4-Nitro-2-aminophenol
IUPAC Name: 2-amino-6-chloro-4-nitrophenol | CAS Registry Number: 6358-09-4
Synonyms: 6-Chloro-4-nitro-2-aminophenol, ZERO/005154, EINECS 228-762-1, Phenol, 2-amino-6-chloro-4-nitro-, 2-AMINO-6-CHLORO-4-NITROPHENOL, CID4679699, LS-103884, 62625-14-3

Molecular Formula: C6H5ClN2O3Molecular Weight: 188.568500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: TWLMSPNQBKSXOP-UHFFFAOYSA-N


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