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Profile: GTH Chimie Fine - Fine Chemicals deals with fine chemicals, chemical intermediates, active pharmaceutical ingredients and nutraceuticals. Our products include (1-benzyl-4-piperidyl)methanol, (1-ethoxyethylidene)malononitrile, (1-propynyl)tributylstannane, (1s,4s)-2-boc-2,5-diazabicyclo(2.2.1)heptane, 3,6-bis(tert.-butyl)carbazole and '1-(tert.-butoxycarbonyl)-3-piperidone.

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• 1-Benzyloxy-3-Iodobenzene
IUPAC Name: 1-iodo-3-phenylmethoxybenzene | CAS Registry Number: 107623-21-2
Synonyms: 3-Iodobenzyloxybenzene, 1-(Benzyloxy)-3-iodobenzene, 1-iodo-3-phenylmethoxybenzene, ST51016225, ZINC00157048, PubChem3066, ACMC-1C7ZZ, SureCN314468, AC1N61WN, AC1Q4P8Z, 1-Benzyloxy-3-iodo-benzene, 1-Benzyl-Oxy-3-Iodobenzene, 532193_ALDRICH, 3-iodo-1-(phenylmethoxy)benzene, CTK4A5562, BENZYL 3-IODOPHENYL ETHER, 1-iodanyl-3-phenylmethoxy-benzene, ATTERCOP-CHM AT130335, MolPort-001-793-353, ACT07596

Molecular Formula: C13H11IOMolecular Weight: 310.130310 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QMKHOPJXDQAHBG-UHFFFAOYSA-N

• 4-Bromo-1-Butene
IUPAC Name: 4-bromobut-1-ene | CAS Registry Number: 5162-44-7
Synonyms: sJPHAbIJuH@, 1-Bromo-3-butene, 1-Butene, 4-bromo-, 4-BROMO-1-BUTENE, 4-Bromobut-1-ene, 167851_ALDRICH, 16500_FLUKA, CID21241, EINECS 225-937-4, TL8003415, InChI=1/C4H7Br/c1-2-3-4-5/h2H,1,3-4H

Molecular Formula: C4H7BrMolecular Weight: 135.002380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N

• 3-Chloropropionaldehyde diethylacetal
IUPAC Name: 3-chloro-1,1-diethoxypropane | CAS Registry Number: 35573-93-4
Synonyms: 3-Chloro-1,1-diethoxypropane, Propane, 3-chloro-1,1-diethoxy-, 26130_FLUKA, NSC60136, EINECS 252-623-4, ZINC01690015, .beta.-Chloropropionaldehyde diethyl acetal, InChI=1/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H

Molecular Formula: C7H15ClO2Molecular Weight: 166.645800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NXHONHDWVLPPCS-UHFFFAOYSA-N

• 1,1-Dichlorodiphenylmethane
IUPAC Name: [dichloro(phenyl)methyl]benzene | CAS Registry Number: 2051-90-3
Synonyms: DPM (halocarbon), Benzophenone dichloride, Diphenyldichloromethane, Methane, dichlorodiphenyl-, Dichlorodiphenylmethane, (Dichloro)diphenylmethane, Dichloro(diphenyl)methane, DPM (VAN), DICHLORODIPHENYL METHANE, D61407_ALDRICH, (dichloro-phenylmethyl)benzene, alpha,alpha-Dichlorodiphenylmethane, Benzene, 1,1'-(dichloromethylene)bis-, Methane, dichlorodiphenyl- (8CI), NSC37425, EINECS 218-134-5, NSC 37425, SBB007844, .alpha.,.alpha.-Dichlorodiphenylmethane, ALPHA, alpha-DICHLORODIPHENYLMETHANE

Molecular Formula: C13H10Cl2Molecular Weight: 237.124500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OPTDDWCXQQYKGU-UHFFFAOYSA-N

• 2,3,4,6-Tetra-O-Acetyl-Alpha-D-Galactopyranosyl Bromide
IUPAC Name: [4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl] acetate | CAS Registry Number: 3068-32-4
Synonyms: Acetobromo glucose, ACETOBROMOGALACTOSE, EINECS 221-324-0, CID102932, alpha-D-Galactopyranosyl bromide, tetraacetate, TL8002357, LT03328265, 2,3,4,6-Tetra-O-acetylhexopyranosyl bromide, .alpha.-D-Glucopyranosyl bromide, tetraacetate, Tetra-O-acetyl-alpha-D-galactopyranosyl bromide, I07-0089, 2,3,4,6-O-Tetraacetyl-a-D-galactopyranosyl bromide, BROMO-2,3,4,6-TETRA-O-ACETYL-alpha-D-GLUCOPYRANOSE, 2,3,4,6-Tetra-O-acetyl-1-deoxy-1-bromo-.beta.-D-glucopyranose, 572-09-8

Molecular Formula: C14H19BrO9Molecular Weight: 411.199260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: CYAYKKUWALRRPA-UHFFFAOYSA-N

• 1H-Benzimidazole-2-methanol
IUPAC Name: 1H-benzimidazol-2-ylmethanol | CAS Registry Number: 4856-97-7
Synonyms: 2-Benzimidazolemethanol, 1H-benzimidazol-2-ylmethanol, 158356_ALDRICH, IFLab1_004246, ZERO/006134, ALBB-000343, NSC18284, 2-(Hydroxymethyl)-1H-benzimidazole, EINECS 225-451-2, ZINC00158650, IDI1_010001, AI3-61986, InChI=1/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10

Molecular Formula: C8H8N2OMolecular Weight: 148.161920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IAJLTMBBAVVMQO-UHFFFAOYSA-N

• 4-Aminobenzophenone
IUPAC Name: (4-aminophenyl)-phenylmethanone | CAS Registry Number: 1137-41-3
Synonyms: p-Benzoylaniline, p-Aminobenzophenone, Benzophenone, 4-amino-, 4-BENZOYLANILINE, Methanone, (4-aminophenyl)phenyl-, USAF A-233, WLN: ZR DVR, 4-Aminophenyl phenyl ketone, Oprea1_489892, A41402_ALDRICH, (4-aminophenyl)(phenyl)methanone, NSC 7665, EINECS 214-506-6, NSC7665, AIDS019993, AIDS-019993, BRN 0389292, SBB003574, ZINC00155146, AI3-03267

Molecular Formula: C13H11NOMolecular Weight: 197.232540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N

• 6,7-Dihydro-4-benzo[b]thiophenone
IUPAC Name: 6,7-dihydro-5H-1-benzothiophen-4-one | CAS Registry Number: 13414-95-4
Synonyms: K3603_ALDRICH, NCIOpen2_002165, 4-Oxo-4,5,6,7-tetrahydrothianaphthene, NSC99002, 37282_FLUKA, 4,5,6,7-Tetrahydro-4-benzothiophenone, AIDS126117, AIDS-126117, 4,5,6,7-Tetrahydrothionaphthen-4-one, EINECS 236-510-7, 4,5,6,7-Tetrahydro-4-oxothionaphthene, NSC 99002, ZINC00388535, 4-Keto-4,5,6,7-tetrahydrothianaphthene, 6,7-dihydro-5H-benzothiophen-4-one, 4,5,6, 7-Tetrahydrothionaphthen-4-one, 4,5,6, 7-Tetrahydro-4-oxothionaphthene, 6,7-Dihydro-1-benzothiophen-4(5H)-one, 6,7-Dihydrobenzo(b)thiophen-4(5H)-one, 6,7-Dihydrobenzo[b]thiophen-4(5H)-one

Molecular Formula: C8H8OSMolecular Weight: 152.213520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GJEKNELSXNSYAQ-UHFFFAOYSA-N

• 2-Bromobenzaldehyde Diethyl Acetal
IUPAC Name: 1-bromo-2-(diethoxymethyl)benzene | CAS Registry Number: 35822-58-3
Synonyms: 2-Bromobenzaldehyde diethyl acetal, 1-bromo-2-(diethoxymethyl)benzene, 2-BromobenzaldehydeDiethylAcetal, SBB064055, (2-bromophenyl)diethoxymethane, ZINC00403391, PubChem5370, ACMC-1AFUV, AC1MQUQ1, SureCN933759, KSC497C3P, 2-(Diethoxymethyl)bromobenzene, 520942_ALDRICH, CTK3J7137, 1-Bromo-2-diethoxymethyl-benzene, MolPort-001-770-404, ANW-28294, AKOS005207056, AG-F-24448, AS03777

Molecular Formula: C11H15BrO2Molecular Weight: 259.139600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: APDGYQVYBWGBSD-UHFFFAOYSA-N

• 3-Chlorostyrene
IUPAC Name: 1-chloro-3-ethenylbenzene | CAS Registry Number: 2039-85-2
Synonyms: Styrene, m-chloro-, M-CHLOROSTYRENE, Styrene, 3-chloro-, Ambap2887, Benzene, 1-chloro-3-ethenyl-, 1-Chloro-3-vinylbenzene, C71009_ALDRICH, Styrene, m-chloro- (8CI), HSDB 3452, NSC18602, EINECS 218-024-7, NSC 18602, Benzene, 1-chloro-3-ethenyl- (9CI)

Molecular Formula: C8H7ClMolecular Weight: 138.594180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BOVQCIDBZXNFEJ-UHFFFAOYSA-N

• 3-Bromo-4-hydroxybenzoic acid
IUPAC Name: 3-bromo-4-hydroxybenzoic acid | CAS Registry Number: 14348-41-5
Synonyms: AIDS018048, AIDS-018048, CID84368, EINECS 238-299-7, ST5331777

Molecular Formula: C7H5BrO3Molecular Weight: 217.016800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XMEQDAIDOBVHEK-UHFFFAOYSA-N

• 2-Bromo Benzoyl Chloride
IUPAC Name: 2-bromobenzoyl chloride | CAS Registry Number: 7154-66-7
Synonyms: 2-Bromobenzoyl chloride, o-Bromobenzoyl chloride, Benzoyl chloride, 2-bromo-, WLN: GVR BE, BENZOYL CHLORIDE, o-BROMO-, B59179_ALDRICH, EINECS 230-507-4, NSC 73706, NSC73706, Benzoyl chloride, 2-bromo- (9CI), BRN 0508506, ZINC01699267, LS-42592, ST5214210, 4-09-00-01013 (Beilstein Handbook Reference)

Molecular Formula: C7H4BrClOMolecular Weight: 219.463060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NZCKTGCKFJDGFD-UHFFFAOYSA-N

• 3,4-Dibromothiophene
IUPAC Name: 3,4-dibromothiophene | CAS Registry Number: 3141-26-2
Synonyms: 3,4-DIBROMOTHIOPHENE, Thiophene, 3,4-dibromo-, 247154_ALDRICH, NSC99007, EINECS 221-546-8, NSC 99007, ZINC01653761, Thiophene, 3,4-dibromo- (8CI)(9CI), ST5319393, TL8002400, InChI=1/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2

Molecular Formula: C4H2Br2SMolecular Weight: 241.931680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VGKLVWTVCUDISO-UHFFFAOYSA-N

• 6-Bromoindole
IUPAC Name: 6-bromo-1H-indole | CAS Registry Number: 52415-29-9
Synonyms: 6-bromo-1H-indole, Maybridge1_006369, 524344_ALDRICH, ZINC00039643, CID676493, B2309G1, ST057071, B-8440

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

InChIKey: MAWGHOPSCKCTPA-UHFFFAOYSA-N

• 4-Chlorobenzhydrol
IUPAC Name: (4-chlorophenyl)-phenylmethanol | CAS Registry Number: 119-56-2
Synonyms: Chlorobenzhydrol, Chlorbenzhydrol, Benzhydrol, 4-chloro-, P-CHLOROBENZHYDROL, Benzhydrol, p-chloro-, (4-Chlorophenyl)phenylmethanol, 4-Chlorobenzhydryl alcohol, 124982_ALDRICH, Benzhydrol, 4-chloro- (8CI), Benzenemethanol, 4-chloro-.alpha.-phenyl-, NSC59990, EINECS 204-333-4, NSC 59990, Benzenemethanol, 4-chloro-alpha-phenyl-, TL806429, AI3-20881, ST5308048, C14672, 118014-08-7

Molecular Formula: C13H11ClOMolecular Weight: 218.678840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AJYOOHCNOXWTKJ-UHFFFAOYSA-N

• 1,4-Diacetoxybutane
IUPAC Name: 4-acetyloxybutyl acetate | CAS Registry Number: 628-67-1
Synonyms: Butylene glycol diacetate, Tetramethylene acetate, 1,4-Butanediol, diacetate, Tetramethylene diacetate, 1,4-Butanediol diacetate, 1,4-Butylene glycol diacetate, 4-(Acetyloxy)butyl acetate, NCIOpen2_000845, NSC67924, NSC 67924, SBB008237, ZINC01694796, FR-1096, AI3-06322, TL8004291, 33934-62-2

Molecular Formula: C8H14O4Molecular Weight: 174.194360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XUKSWKGOQKREON-UHFFFAOYSA-N

• 5,5'-Diacetyl-2,2'-Bithienyl
IUPAC Name: 1-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]ethanone | CAS Registry Number: 18494-73-0
Synonyms: NSC203017, CID305890, ZINC01737434, NCI60_001707, T0507-3551

Molecular Formula: C12H10O2S2Molecular Weight: 250.336600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DZBDNNDXPKNUGF-UHFFFAOYSA-N

• (S)-(-)-Indoline-2-carboxylicacid
IUPAC Name: (2S)-2,3-dihydro-1H-indole-2-carboxylic acid | CAS Registry Number: 79815-20-6
Synonyms: (S)-(-)-Indoline-2-carboxylic acid, (S)-Indoline-2-carboxylic acid, (2S)-2,3-dihydro-1H-indole-2-carboxylic acid, s-(-)-indoline-2-carboxylic acid, L-(-)-Indoline-2-carboxylic acid, (S)-(-)-Indolin-2-carboxylic acid, L-Indoline-2-carboxylic acid, s-dic, h-idc-oh, PubChem6053, CDS1_000178, AC1MBZYQ, (s)-2-carboxyindoline, Maybridge1_002466, SureCN926388, AC1Q71AJ, AC1Q71AK, (S)-Indoline-2-carboxylic, s-indoline-2-carboxylic acid, KSC171G1L

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QNRXNRGSOJZINA-QMMMGPOBSA-N

• 1-Benzofuran-2-ylmethanol
IUPAC Name: 1-benzofuran-2-ylmethanol | CAS Registry Number: 55038-01-2
Synonyms: 1-benzofuran-2-ylmethanol, 3-BenzofuranMethanol, ZINC00158631, PubChem7021, Benzofuran-2-ylmethanol, AC1MCQU6, SureCN118929, AC1Q7C2P, (1-Benzofuran-2-yl)methanol, 2-HYDROXYMETHYLBENZOFURAN, benzo[d]furan-2-ylmethan-1-ol, 2-(Hydroxymethyl)-1-benzofuran, (BENZOFURAN-2-YL)METHANOL, MolPort-000-142-330, HMS1773C08, AB3056, SBB067613, AKOS000279003, AG-F-57586, AG-L-63002

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HSOMHPHYGAQRTF-UHFFFAOYSA-N

• 3-Chloro-4-Hydroxyphenyl Acetic Acid
IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)acetic acid | CAS Registry Number: 33697-81-3
Synonyms: 4-Hcpa, 2h6b, 3-Chloro-4-hydroxyphenylacetic acid, VUFB9649, m-Chloro-p-hydroxyphenylacetic acid, 224529_ALDRICH, (3-Chloro-4-hydroxyphenyl)acetic acid, 4-Hydroxy-3-chlorophenylacetic acid, EINECS 251-643-0, 3-Chloro-4-hydroxybenzeneacetic acid, Benzeneacetic acid, 3-chloro-4-hydroxy-, BRN 2096929, CID118534, Acetic acid, (3-chloro-4-hydroxyphenyl)-, LS-28678, Kyselina 3-chlor-4-hydroxyfenyloctova [Czech], C-4140, 3-10-00-00440 (Beilstein Handbook Reference), 3C4, InChI=1/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IYTUKSIOQKTZEG-UHFFFAOYSA-N

• 2-Aminoindan-2-Carboxylic Acid Hydrochloride
IUPAC Name: 2-azaniumyl-1,3-dihydroindene-2-carboxylate | CAS Registry Number: 33584-60-0
Synonyms: ZINC01696551, CID6994430

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UHQFXIWMAQOCAN-UHFFFAOYSA-N

• 3-Phenoxypropyl Bromide
IUPAC Name: 3-bromopropoxybenzene | CAS Registry Number: 588-63-6
Synonyms: 3-Phenoxypropyl bromide, (3-Bromopropoxy)benzene, Benzene, (3-bromopropoxy)-, 3-Bromopropyl phenyl ether, 1-Bromo-3-phenoxypropane, 3-bromo-propoxy-benzene, Ether, 3-bromopropyl phenyl, gamma-Phenoxypropyl bromide, P16303_ALDRICH, .gamma.-Phenoxypropyl bromide, NSC2641, NSC 2641, EINECS 209-623-4, ZINC01641051, AI3-11213, T5361778

Molecular Formula: C9H11BrOMolecular Weight: 215.087040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NIDWUZTTXGJFNN-UHFFFAOYSA-N

• (S)-(+)-2-Amino-4-methyl-1-pentanol
IUPAC Name: (2S)-2-amino-4-methylpentan-1-ol | CAS Registry Number: 7533-40-6
Synonyms: Leucinol, L-Leucinol, L(+)-Leucinol, (S)-()-Leucinol, 2-Amino-4-methyl-1-pentanol, 184047_ALDRICH, 61920_FLUKA, (S)-2-Amino-4-methyl-1-pentanol, (S)-2-Amino-4-methylpentan-1-ol, EINECS 231-400-5, CID111307, 1-Pentanol, 2-amino-4-methyl-, (S)-, AI3-62983, TL8005160, L-3700, InChI=1/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H

Molecular Formula: C6H15NOMolecular Weight: 117.189400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VPSSPAXIFBTOHY-LURJTMIESA-N

• 3-Benzoylpyridine
IUPAC Name: phenyl(pyridin-3-yl)methanone | CAS Registry Number: 5424-19-1
Synonyms: Phenyl 3-pyridyl ketone, Pyridine, 3-benzoyl-, 3-Pyridyl phenyl ketone, Methanone, phenyl-3-pyridinyl-, Maybridge3_000706, WLN: T6NJ CVR, KETONE, PHENYL 3-PYRIDYL, phenyl-pyridin-3-ylmethanone, B14205_ALDRICH, phenyl(pyridin-3-yl)methanone, EINECS 226-561-3, NSC 13190, NSC13190, BRN 0120234, ZINC00136687, IDI1_012093, Methanone, phenyl-3-pyridinyl- (9CI), B253, LS-87348, ST5406332

Molecular Formula: C12H9NOMolecular Weight: 183.205960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RYMBAPVTUHZCNF-UHFFFAOYSA-N

• 2-Deoxy-D-Galactose
IUPAC Name: (2S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol | CAS Registry Number: 1949-89-9
Synonyms: nchembio.94-comp24, CID446586, ZINC03860326, 2DG

Molecular Formula: C6H12O5Molecular Weight: 164.156480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: PMMURAAUARKVCB-ARQDHWQXSA-N

• 2-Chloro-3-Methylthiophene
IUPAC Name: 2-chloro-3-methylthiophene | CAS Registry Number: 14345-97-2
Synonyms: 2-Chloro-3-methylthiophene, 648760_ALDRICH, ZINC02504556, CID84365, EINECS 238-296-0, TL8000954

Molecular Formula: C5H5ClSMolecular Weight: 132.611200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KQFADYXPELMVHE-UHFFFAOYSA-N

• (-)-a-Amino-y-butyrolactone hydrobromide
IUPAC Name: (3S)-3-aminooxolan-2-one;hydrobromide | CAS Registry Number: 15295-77-9
Synonyms: L-Homoserine lactone hydrobromide, (S)-3-Aminodihydrofuran-2(3H)-one hydrobromide, ST50408635, (S)-(-)-alpha-Amino-gamma-butyrolactone hydrobromide, SureCN1536657, KSC924K2J, 471429_ALDRICH, CTK8C4524, MolPort-000-882-259, ANW-72216, AKOS000278441, AK-47894, KB-63357, (S)-(-)-|A-Amino-|A-butyrolactone hydrobromide, I14-17178, (S)-(-)-a-AMINO-GAMMA-BUTYROLACTONE HYDROBROMIDE

Molecular Formula: C4H8BrNO2Molecular Weight: 182.015820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MKLNTBLOABOJFZ-DFWYDOINSA-N

• 4-Bromo Diphenyl (CAS: 92-66-0)
• 4-Tert-Butylphthalic anhydride
IUPAC Name: 5-tert-butyl-2-benzofuran-1,3-dione | CAS Registry Number: 32703-79-0
Synonyms: 4-tert-Butylphthalic anhydride, 454648_ALDRICH, EINECS 251-165-2, InChI=1/C12H12O3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H

Molecular Formula: C12H12O3Molecular Weight: 204.221880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YLJYVKLZVHWUCT-UHFFFAOYSA-N

• 1-(2-Aminophenyl)pyrrole
IUPAC Name: 2-pyrrol-1-ylaniline | CAS Registry Number: 6025-60-1
Synonyms: N-(2-Aminophenyl)pyrrole, 2-(1H-Pyrrol-1-yl)aniline, MLS000833745, 196940_ALDRICH, EINECS 227-884-2, NSC130753, ZINC00137173, SMR000457466, ST5109376

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GDMZHPUPLWQIBD-UHFFFAOYSA-N

• 2-Bromo-5-nitrotoluene
IUPAC Name: 1-bromo-2-methyl-4-nitrobenzene | CAS Registry Number: 7149-70-4
Synonyms: 4-Bromo-3-methylnitrobenzene, 247103_ALDRICH, 1-Bromo-2-methyl-4-nitrobenzene, NSC72323, SBB006703, ZINC01698450, Benzene, 1-bromo-2-methyl-4-nitro-

Molecular Formula: C7H6BrNO2Molecular Weight: 216.032040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HIMGPQVBNICCGL-UHFFFAOYSA-N

• 4-Bromophenethylamine
IUPAC Name: 2-(4-bromophenyl)ethanamine | CAS Registry Number: 73918-56-6
Synonyms: p-Bromophenethylamine, Benzeneethanamine, 4-bromo-, 189308_ALDRICH, EINECS 277-636-2, CID533915, FS000610, ST5406674

Molecular Formula: C8H10BrNMolecular Weight: 200.075700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZSZCXAOQVBEPME-UHFFFAOYSA-N

• 8-Azahypoxanthine
IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one | CAS Registry Number: 2683-90-1
Synonyms: Azahypoxanthine, Purine analog, STOCK1N-25516, AE 200, CHEBI:464720, 7-Hydroxy-v-triazolo(d)pyrimidine, 7-Hydroxy-v-triazolo[d]pyrimidine, AIDS045529, v-Triazolo(4,5-d)pyrimidin-7-ol, v-Triazolo[4,5-d]pyrimidin-7-ol, 7-Hydroxy-1,2,3,4,6-pentaazaindene, AIDS-045529, CID75895, NSC22709, EINECS 220-244-3, NSC 22709, 1H-v-Triazolo(4,5-d)pyrimidin-7-ol, 1H-v-Triazolo[4,5-d]pyrimidin-7-ol, NCI60_001853, AI3-50259

Molecular Formula: C4H3N5OMolecular Weight: 137.099520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OEEYCNOOAHGFHL-UHFFFAOYSA-N

• 3-Nitro-4-Aminobenzoic Acid
IUPAC Name: 4-amino-3-nitrobenzoic acid | CAS Registry Number: 1588-83-6
Synonyms: 3-Nitro-4-aminobenozic acid, 4-Carboxy-2-nitroaniline, 4-Amino-3-nitrobenzoic acid, Benzoic acid, 4-amino-3-nitro-, 3-Nitro-4-aminobenzoic acid, MLS000773514, 248118_ALDRICH, ZERO/000832, NSC20673, EINECS 216-453-4, NSC 20673, SMR000364241, ST5331088

Molecular Formula: C7H6N2O4Molecular Weight: 182.133540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZZNAYFWAXZJITH-UHFFFAOYSA-N

• 2-Chlorocyclopentanone
IUPAC Name: (2R)-2-chlorocyclopentan-1-one | CAS Registry Number: 694-28-0
Synonyms: CYCLOPENTANONE, 2-CHLORO-, CID641139, ZINC01690074, InChI=1/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H

Molecular Formula: C5H7ClOMolecular Weight: 118.561480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AXDZFGRFZOQVBV-SCSAIBSYSA-N

• 7-Adca
IUPAC Name: 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 22252-43-3
Synonyms: 7-aminodesacetoxycephalosporanic acid, EINECS 244-870-1, BAS 03241722, ST5271102, (6R-trans)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-Amino-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-5-thia-1-aza-

Molecular Formula: C8H10N2O3SMolecular Weight: 214.241600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NVIAYEIXYQCDAN-UHFFFAOYSA-N

• 1,3-Bis(bromomethyl)benzene
IUPAC Name: 1,3-bis(bromomethyl)benzene | CAS Registry Number: 626-15-3
Synonyms: m-Xylylene dibromide, m-Bis(bromomethyl)benzene, Benzene, 1,3-bis(bromomethyl)-, alpha,alpha'-Dibromo-m-xylene, CCRIS 1777, 1,3-bis(bromomethyl)-benzene, 125911_ALDRICH, m-Xylene, .alpha.,.alpha.'-dibromo-, NSC28040, 34428_FLUKA, 34430_FLUKA, EINECS 210-931-6, m-Xylene, alpha,alpha'-dibromo-, NSC 28040, m-.alpha.,.alpha.'-Dibromoxylene, CID69373, .alpha.,.alpha.'-Dibromo-m-xylene, m-Xylene, alpha,alpha'-dibromo- (8CI), LS-188183, TL8004208

Molecular Formula: C8H8Br2Molecular Weight: 263.957120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OXHOPZLBSSTTBU-UHFFFAOYSA-N

• 6-Benzylaminopurine
IUPAC Name: N-(phenylmethyl)-7H-purin-6-amine | CAS Registry Number: 1214-39-7
Synonyms: N-Benzyladenine, Benzyladenine, N6-Benzyladenine, 6-Benzyladenine, Benzylaminopurine, Cytokinin B, Adenine, N-benzyl-, 6-(Benzylamino)purine, Pro-Shear, 6-Benzyl adenine, BAP (cytokinin), BA (Growth stimulant), N(6)-Benzylaminopurine, BAP (growth stimulant), Prestwick_414, Aminopurine, 6-benzyl, Caswell No. 081EE, Verdan senescence inhibitor, N(sup 6)-Benzyladenine, Benzyl(purin-6-yl)amine

Molecular Formula: C12H11N5Molecular Weight: 225.249240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N

• 3,4-Dichlorophenol (CAS: 95-77-2)
• 2-Chloro-5-nitrobenzyl alcohol
IUPAC Name: (2-chloro-5-nitrophenyl)methanol | CAS Registry Number: 80866-80-4
Synonyms: Ambap5882, 188964_ALDRICH, ZINC00160595, Benzenemethanol, 2-chloro-5-nitro-, EINECS 279-584-6, CID555722, ST5406675

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NNLQYDLTFRXAKD-UHFFFAOYSA-N

• 3,4-Dichlorobenzyl Mercaptan
IUPAC Name: (3,4-dichlorophenyl)methanethiol | CAS Registry Number: 36480-40-7
Synonyms: 2,4-Dichlorobenzyl mercaptan, 3,4-Dichlorobenzyl mercaptan, Benzenemethanethiol, 3,4-dichloro-, 3,4-Dichlorotoluene-alpha-thiol, ZINC04802670, EINECS 253-054-4, CID118986, BBV-092371

Molecular Formula: C7H6Cl2SMolecular Weight: 193.093540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CEGBRSQPRQXALB-UHFFFAOYSA-N

• 4-Benyloxybenzaldehyde
IUPAC Name: 4-(phenylmethoxy)benzaldehyde | CAS Registry Number: 4397-53-9
Synonyms: 4-(Benzyloxy)benzaldehyde, p-(Benzyloxy)benzaldehyde, 4-Benzyloxybenzaldehyde, Benzaldehyde, p-(benzyloxy)-, Benzaldehyde, 4-(phenylmethoxy)-, CBMicro_014912, 4-phenylmethoxy-benzaldehyde, 123714_ALDRICH, 13619_FLUKA, NSC28298, EINECS 224-527-2, NSC 28298, NSC131669, SBB000526, ZINC00119353, Benzaldehyde, p-(benzyloxy)- (8CI), NSC 131669, BIM-0014979.P001, 5570-82-1

Molecular Formula: C14H12O2Molecular Weight: 212.243880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZVTWZSXLLMNMQC-UHFFFAOYSA-N

• 3-Bromo Benzoic Acid
IUPAC Name: 3-bromobenzoic acid | CAS Registry Number: 585-76-2
Synonyms: Benzoic acid, 3-bromo-, 3-BROMOBENZOIC ACID, m-Bromobenzoic acid, Benzoic acid, m-bromo-, NCIOpen2_009262, BENZOIC ACID,2-BROMO, 186295_ALDRICH, 16330_FLUKA, Benzoic acid, m-bromo- (8CI), NSC3980, NSC 3980, NSC32739, EINECS 209-562-3, NSC 32739, NSC176129, TL806158, AI3-08854, ST5319447, InChI=1/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10

Molecular Formula: C7H5BrO2Molecular Weight: 201.017400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VOIZNVUXCQLQHS-UHFFFAOYSA-N

• 3-Acetylbenzonitrile
IUPAC Name: 3-acetylbenzonitrile | CAS Registry Number: 6136-68-1
Synonyms: m-Cyanoacetophenone, 3'-Cyanoacetophenone, 292214_ALDRICH, EINECS 228-110-6, NSC210360, ZINC01745805, InChI=1/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SBCFGFDAZCTSRH-UHFFFAOYSA-N

• 4-Amino-2-mercaptopyrimidine
IUPAC Name: 6-amino-1H-pyrimidine-2-thione | CAS Registry Number: 333-49-3
Synonyms: Cytosine, thio-, Thiocytosine, 2-Thiocytosine, Cytosine, 2-thio-, 4-Amino-2-thiouracil, 4-Aminopyrimidine-2-thiol, 2(1H)-Pyrimidinethione, 4-amino-, 2(1H)-Pyrimidinone, 4-aminothio-, 4-Amino-2(1H)-pyrimidinethione, EINECS 206-374-3, AIDS023021, NSC 211571, AIDS-023021, NSC45755, NSC211571, SBB005532, ZINC01677560, ZINC01847562, AI3-52256, LS-135598

Molecular Formula: C4H5N3SMolecular Weight: 127.167600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: DCPSTSVLRXOYGS-UHFFFAOYSA-N

• 4-Acetylbenzoic Acid
IUPAC Name: 4-acetylbenzoic acid | CAS Registry Number: 586-89-0
Synonyms: 4-ACETYLBENZOIC ACID, Benzoic acid, 4-acetyl-, Acetophenone-4-carboxylic acid, 177458_ALDRICH, 00932_FLUKA, AIDS169338, AIDS-169338, NSC16644, EINECS 209-588-5, FR-2386, ST5406650, TL8003755

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QBHDSQZASIBAAI-UHFFFAOYSA-N

• 4-Amino-3-methoxybenzoic acid
IUPAC Name: 4-amino-3-methoxybenzoic acid | CAS Registry Number: 2486-69-3
Synonyms: 347027_ALDRICH, 4-Amino-3-methoxy-benzoic acid, NSC148472, CID288057, SBB008622, FR-2337, TL8002030, InChI=1/C8H9NO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JNFGLYJROFAOQP-UHFFFAOYSA-N

• (1S,4S)-(+)-2-Benzyl-2,5-Diazabicyclo[2.2.1]heptane Dihydrobromide
IUPAC Name: (1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide | CAS Registry Number: 116258-17-4
Synonyms: (1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Dihydrobromide, (1S,4S)-(+)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide, (1S,4S)-2-Benzyl-2,5-diazabicyclo(2.2.1)heptane dihydrobromide, PubChem16298, SureCN1363188, AC1Q23A0, CTK8A9314, MolPort-016-636-314, ACN-S002118, ANW-16955, AKOS015909339, AK-68283, BR-68283, KB-00826, B2054, FT-0083981, X9162, EN300-70015, I14-3316, (1S,4S)-2-Benzyl-2,5-diazabicyclo-(2 .2.1)heptane dihydrobromide

Molecular Formula: C12H18Br2N2Molecular Weight: 350.092720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SOMPEQIPSQFVMO-AQEKLAMFSA-N

• 2,1-Benzisoxazole
IUPAC Name: 2,1-benzoxazole | CAS Registry Number: 271-58-9
Synonyms: Anthranil, Benz(c)isoxazole, 2,1-benzoxazole, NCIOpen2_002087, 144517_ALDRICH, NSC99331, CHEBI:51555, AIDS126130, 2,1-Benzisoxazole (8CI)(9CI), AIDS-126130, CID67498, EINECS 205-980-5, NSC 99331, ZINC00154777, LT00080690, InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5

Molecular Formula: C7H5NOMolecular Weight: 119.120700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FZKCAHQKNJXICB-UHFFFAOYSA-N

• 2,6-Dichlorocinnamic acid
IUPAC Name: (E)-3-(2,6-dichlorophenyl)prop-2-enoic acid | CAS Registry Number: 5345-89-1
Synonyms: NSC 1762, EINECS 226-301-9, NSC1762, 2-Propenoic acid, 3-(2,6-dichlorophenyl)-, 3-(2,6-Dichlorophenyl)-2-propenoic acid, Cinnamic acid, 2,6-dichloro- (6CI,7CI), ST074429, LS-123618, 3-(2,6-DICHLOROPHENYL)PROPENOIC ACID, InChI=1/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4

Molecular Formula: C9H6Cl2O2Molecular Weight: 217.048740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OIPVGRCXMFBNAN-SNAWJCMRSA-N


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