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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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• (R)-Indoline-2-carboxylic acid
IUPAC Name: (2R)-2,3-dihydro-1H-indole-2-carboxylic acid | CAS Registry Number: 98167-06-7
Synonyms: (R)-Indoline-2-carboxylic Acid, (R)-(+)-Indoline-2-carboxylic acid, (R)-(-)-Indoline-2-carboxylic acid, (R)-(+)-2,3-Dihydroindole-2-carboxylic acid, R-(+)-Indoline-2-carboxylic acid, (2R)-2,3-dihydro-1H-indole-2-carboxylic acid, PubChem20604, AC1OBW7O, SureCN1134239, Oprea1_181429, KSC486M0L, 51266_ALDRICH, 51266_FLUKA, CTK3I6605, QNRXNRGSOJZINA-MRVPVSSYSA-, MolPort-000-003-275, ACN-S002907, ACT02499, (R)-()-Indoline-2-carboxylic acid, ANW-40909

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

InChIKey: QNRXNRGSOJZINA-MRVPVSSYSA-N

• 2,5-Dichlorobenzaldehyde
IUPAC Name: 2,5-dichlorobenzaldehyde | CAS Registry Number: 6361-23-5
Synonyms: 523917_ALDRICH, ZINC02530965, CID80702, EINECS 228-832-1, SBB003793

Molecular Formula: C7H4Cl2OMolecular Weight: 175.012060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BUXHYMZMVMNDMG-UHFFFAOYSA-N

• 3-Cyanobenzoic acid
IUPAC Name: 3-cyanobenzoic acid | CAS Registry Number: 1877-72-1
Synonyms: m-Cyanobenzoic acid, Benzoic acid, 3-cyano-, 3-CYANOBENZOIC ACID, 3-Carboxybenzonitrile, Benzoic acid, m-cyano-, Enamine_005492, Isophthalic acid mononitrile, 157163_ALDRICH, AIDS169353, AIDS-169353, EINECS 217-511-1, TL806217, T0517-5210, InChI=1/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11

Molecular Formula: C8H5NO2Molecular Weight: 147.130800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GYLKKXHEIIFTJH-UHFFFAOYSA-N

• 2,2-Dichlorocyclopropyl phenyl sulfide
IUPAC Name: [(1R)-2,2-dichlorocyclopropyl]sulfanylbenzene | CAS Registry Number: 63289-85-0
Synonyms: ZINC02570109, ZINC04262328, CID7157177

Molecular Formula: C9H8Cl2SMolecular Weight: 219.130820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DIHSMJVOQUSOTO-MRVPVSSYSA-N

• 1-Bromo-N,N,2-trimethylpropenylamine
IUPAC Name: 1-bromo-N,N,2-trimethylprop-2-en-1-amine | CAS Registry Number: 73630-93-0
Synonyms: AG-G-91487, CTK5D8389, 1-BROMO-N,N,2-TRIMETHYLALLYLAMINE, 1-Bromo-N,N,2-trimethylpropenylamine,98%;, 1-Propen-1-amine,1-bromo-N,N,2-trimethyl-

Molecular Formula: C6H12BrNMolecular Weight: 178.070180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LUEGTOVASPUABD-UHFFFAOYSA-N

• 2-Naphthylphenylketone
IUPAC Name: naphthalen-2-yl(phenyl)methanone | CAS Registry Number: 644-13-3
Synonyms: 2-Benzoylnaphthalene, 2-Benzonaphthone, 2'-Benzonaphthone, beta-Benzoylnaphthalene, 2-Naphthyl phenyl ketone, Ketone, 2-naphthyl phenyl, Methanone, 2-naphthalenylphenyl-, .beta.-Benzoylnaphthalene, NSC5190, NSC 5190, EINECS 211-410-6, ZINC01680758, ST5412078, TL8004562, InChI=1/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12

Molecular Formula: C17H12OMolecular Weight: 232.276580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SJNXJRVDSTZUFB-UHFFFAOYSA-N

• (2,4-Dichlorophenyl)-Methanesulfonyl Chloride
IUPAC Name: (2,4-dichlorophenyl)methanesulfonyl chloride | CAS Registry Number: 88691-50-3
Synonyms: (2,4-Dichlorophenyl)methanesulfonyl chloride, (2,4-Dichlorophenyl)-methanesulfonyl chloride, 2,4-Dichlorobenzylsulfonyl chloride, (2,4-Dichlorophenyl)methylsulphonyl chloride, Benzenemethanesulfonylchloride, 2,4-dichloro-, ACMC-20do05, AC1LC51N, CTK5G1236, MolPort-000-150-709, MAY00259, GEO-01001, SBB102214, AKOS000129414, AB20691, AG-B-73834, QC-8892, RP06315, KB-62635, [(2,4-dichlorophenyl)methyl]chlorosulfone, 2,4-DICHLOROBENZYLSULPHONYL CHLORIDE

Molecular Formula: C7H5Cl3O2SMolecular Weight: 259.537400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SNLHLLYEHFIELA-UHFFFAOYSA-N

• 1,3-Diacetylbenzene
IUPAC Name: 1-(3-acetylphenyl)ethanone | CAS Registry Number: 6781-42-6
Synonyms: m-Acetyl acetophenone, 1,3-DIACETYLBENZENE, Benzene-1,3-bis(acetyl), 158984_ALDRICH, Ethanone, 1,1'-(1,3-phenylene)bis-, ZINC02029853, 1,1'-(1,3-phenylene)diethanone, CID23229, EINECS 229-842-9, LT03331193, InChI=1/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VCHOFVSNWYPAEF-UHFFFAOYSA-N

• 5-bromo-thiazole-2-ylamine
IUPAC Name: 5-bromo-1,3-thiazol-2-amine | CAS Registry Number: 3034-22-8
Synonyms: 2-Amino-5-bromothiazole, 5-bromothiazol-2-amine, 5-Bromo-thiazol-2-ylamine, 5-Bromothiazol-2-ylamine, 5-Bromo-1,3-thiazol-2-amine, AC-907/25004245, 5-bromo-1,3-thiazole-2-ylamine, PubChem14121, 5-bromo-2-Thiazolamine, 2-amino-5-bromo-thiazole, aminothiazole analogue, 54, 2-Thiazolamine, 5-bromo-, AC1L2A7U, Jsp005722, CTK5I8946, MolPort-001-791-286, ACN-P000722, ACN-S003236, ACT04935, ANW-48048

Molecular Formula: C3H3BrN2SMolecular Weight: 179.038320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N

• 3 5-Dibromo Salicylic Acid
IUPAC Name: 3,5-dibromo-2-hydroxybenzoic acid | CAS Registry Number: 3147-55-5
Synonyms: 3,5-Dibromo-2-hydroxybenzoic acid, 3,5-DIBROMOSALICYLIC ACID, Salicylic acid, 3,5-dibromo-, Benzoic acid, 3,5-dibromo-2-hydroxy-, Oprea1_757968, D43603_ALDRICH, 2-Hydroxy-3,5-dibromobenzoic acid, NSC1062, NSC 1062, EINECS 221-570-9, Salicylic acid, 3,5-dibromo- (8CI), AI3-22145, ST5308122, BENZOIC ACID,3,5-DIBROMO,2-HYDROXY, AG-670/32485043, InChI=1/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12

Molecular Formula: C7H4Br2O3Molecular Weight: 295.912860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BFBZHSOXKROMBG-UHFFFAOYSA-N

• 1-Bromo-3,3-diphenylpropane
IUPAC Name: (3-bromo-1-phenylpropyl)benzene | CAS Registry Number: 20017-68-9
Synonyms: (3-bromo-1-phenylpropyl)benzene, NSC72996, EINECS 243-467-8, ZINC01698823, 1,1'-(3-Bromopropylidene)bisbenzene, AN-584/43345393

Molecular Formula: C15H15BrMolecular Weight: 275.183600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SLHSRCBFPHCSGL-UHFFFAOYSA-N

• 3-Benzyloxy-4-methoxybenzaldehyde
IUPAC Name: 4-methoxy-3-(phenylmethoxy)benzaldehyde | CAS Registry Number: 6346-05-0
Synonyms: Vanillin benzyl ether, CBMicro_005957, Oprea1_295073, Oprea1_544302, 163953_ALDRICH, NSC43750, EINECS 228-752-7, 4-methoxy-3-phenylmethoxybenzaldehyde, NSC 43750, NSC196547, ZINC00097109, NSC 196547, Benzaldehyde, 3-(benzyloxy)-4-methoxy-, BIM-0005939.P001, ST5213365, Benzaldehyde, 4-methoxy-3-(phenylmethoxy)-, 2426-87-1

Molecular Formula: C15H14O3Molecular Weight: 242.269860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VQVQZFHUXRSRBZ-UHFFFAOYSA-N

• 2-Amino-4-chlorobenzothiazole
IUPAC Name: 4-chloro-1,3-benzothiazol-2-amine | CAS Registry Number: 19952-47-7
Synonyms: 2-Benzothiazolamine, 4-chloro-, 2-AMINO-4-CHLOROBENZOTHIAZOLE, 4-Chlorobenzothiazol-2-ylamine, Benzothiazole, 2-amino-4-chloro-, MLS000678672, MLS002152865, 133434_ALDRICH, EINECS 243-439-5, CID29872, NSC44404, BRN 0136784, 4-Chloro-1,3-benzothiazol-2-amine, LS-980, SBB000250, ZINC00119425, NCGC00091638-01, SMR000323910, 4-27-00-04859 (Beilstein Handbook Reference), InChI=1/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10

Molecular Formula: C7H5ClN2SMolecular Weight: 184.646000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OEQQFQXMCPMEIH-UHFFFAOYSA-N

• 5-bromo-m-xylene
IUPAC Name: 1-bromo-3,5-dimethylbenzene | CAS Registry Number: 556-96-7
Synonyms: 5-Bromo-m-xylene, m-Xylene, 5-bromo-, Benzene, 1-bromo-3,5-dimethyl-, 1-Bromo-3,5-dimethylbenzene, 276316_ALDRICH, CID136357, ST5405132, TL8003633, InChI=1/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H

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

InChIKey: LMFRTSBQRLSJHC-UHFFFAOYSA-N

• 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride
IUPAC Name: 4-phenyl-1-(phenylmethyl)piperidine-4-carbonitrile | CAS Registry Number: 56243-25-5
Synonyms: Oprea1_757244, BC-4-PP, AIDS124351, AIDS-124351, NSC23832, EINECS 275-305-7, 1-Benzyl-4-cyano-4-phenylpiperidine, NSC 23832, 1-Benzyl-4-phenyl-4-piperidinecarbonitrile, ST5307945, TL8006225, 1-N-Benzyl-4-cyano-4-phenylpiperidine hydrochloride, 4-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, 1-Benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride, 71258-18-9

Molecular Formula: C19H20N2Molecular Weight: 276.375500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AUBONLVMDCVPQE-UHFFFAOYSA-N

• 4-Benzyloxy-3-methoxyphenylacetic acid
IUPAC Name: 2-[3-methoxy-4-(phenylmethoxy)phenyl]acetic acid | CAS Registry Number: 29973-91-9
Synonyms: Maybridge3_000484, Oprea1_036792, MLS000849836, 424919_ALDRICH, NSC169521, CID297964, IDI1_011871, SMR000455854, ST5319475, 2-[4-(benzyloxy)-3-methoxyphenyl]acetic acid, SR-01000642023-1

Molecular Formula: C16H16O4Molecular Weight: 272.295840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AYCIHUSEBJLTBF-UHFFFAOYSA-N

• 5-amino-2-bromo-benzoic Acid
IUPAC Name: 5-amino-2-bromobenzoic acid | CAS Registry Number: 2840-02-0
Synonyms: 5-Amino-2-bromobenzoic acid, SBB059076, PubChem4637, AC1MCH9Z, 4-Bromo-3-carboxyaniline, ACMC-209h2e, 4-Bromo-3-carboxyaniline;, SureCN1180602, 2-Bromo-5-aminobenzoic acid, KSC561G5H, Benzoic acid,5-amino-2-bromo-, CTK4G1353, MolPort-001-768-798, ACT11893, ANW-26388, CL8124, GEO-00082, AKOS005254653, AC-3872, AG-E-91105

Molecular Formula: C7H6BrNO2Molecular Weight: 216.032040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FEXDUVBQBNYSQV-UHFFFAOYSA-N

• 4-Cyanobenzoic Acid
IUPAC Name: 4-cyanobenzoic acid | CAS Registry Number: 619-65-8
Synonyms: 4-CYANOBENZOIC ACID, p-Cyanobenzoic acid, p-Carboxybenzonitrile, Benzoic acid, 4-cyano-, Benzoic acid, p-cyano-, Terephthalic acid mononitrile, C89803_ALDRICH, Benzoic acid, p-cyano- (8CI), NSC6306, NSC 6306, EINECS 210-606-9, SBB008570, FR-2274, TL8003998, AC-907/25014365, InChI=1/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11

Molecular Formula: C8H5NO2Molecular Weight: 147.130800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ADCUEPOHPCPMCE-UHFFFAOYSA-N

• 5-Bromoacenaphthene
IUPAC Name: 5-bromo-1,2-dihydroacenaphthylene | CAS Registry Number: 2051-98-1
Synonyms: Acenaphthene, 5-bromo-, Maybridge1_006415, Acenaphthene, 5-bromo- (8CI), NSC59823, ACENAPHTHYLENE, 5-BROMO-1,2-DIHYDRO-, EINECS 218-138-7, NSC 59823, ST5170950, Acenaphthylene, 5-bromo-1,2-dihydro- (9CI)

Molecular Formula: C12H9BrMolecular Weight: 233.103860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QALKJGMGKYKMKE-UHFFFAOYSA-N

• 3-Aminophthalic acid hydrochloride
IUPAC Name: 3-aminophthalic acid hydrochloride | CAS Registry Number: 6946-22-1
Synonyms: Ambap3278, ghl.PD_Mitscher_leg0.1315, EINECS 230-106-4, Phthalic acid, 3-amino-, hydrochloride, NSC 56716, NSC127008, NSC 127008, 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride

Molecular Formula: C8H8ClNO4Molecular Weight: 217.606420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: ZBZAVEORKXFUQB-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

• 3,4-Difluorobenzoic Acid
IUPAC Name: 3,4-difluorobenzoic acid | CAS Registry Number: 455-86-7
Synonyms: 3,4-Difluorobenzoic acid, Benzoic acid, 3,4-difluoro-, 264318_ALDRICH, NSC190686, CID99166, JRD-0041, EINECS 207-249-6, SBB006721, TL8003167, InChI=1/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11

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

InChIKey: FPENCTDAQQQKNY-UHFFFAOYSA-N

• 2-Bromo-4-methylaniline
IUPAC Name: 2-bromo-4-methylaniline | CAS Registry Number: 583-68-6
Synonyms: 2-Bromotoluidine, 2-Bromo-p-toluidine, 4-Amino-3-bromotoluene, 4-Methyl-2-bromoaniline, Benzenamine, 2-bromo-4-methyl-, p-TOLUIDINE, 2-BROMO-, NSC7092, 124087_ALDRICH, NSC 7092, 07160_FLUKA, EINECS 209-515-7, CID11422, ZINC00388149, LS-154325, ST5213807, TL80073952

Molecular Formula: C7H8BrNMolecular Weight: 186.049120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UVRRJILIXQAAFK-UHFFFAOYSA-N

• 4-n-Butylacetophenone
IUPAC Name: 1-(4-butylphenyl)ethanone | CAS Registry Number: 37920-25-5
Synonyms: 4'-Butylacetophenone, p-Butylacetophenone, p-n-Butylacetophenone, Ethanone, 1-(4-butylphenyl)-, 1-(4-Butylphenyl)ethanone, 389250_ALDRICH, 1-(4-Butylphenyl)ethan-1-one, ALBB-002839, EINECS 253-715-7, ZINC02146983, ST5406966

Molecular Formula: C12H16OMolecular Weight: 176.254840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MQESVSITPLILCO-UHFFFAOYSA-N

• 3-Chloro-4-hydroxybenzonitrile
IUPAC Name: 3-chloro-4-hydroxybenzonitrile | CAS Registry Number: 2315-81-3
Synonyms: Ambap6898, ZINC02380632, Benzonitrile, 3-chloro-4-hydroxy-, CID2735739

Molecular Formula: C7H4ClNOMolecular Weight: 153.565760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CRYPJUOSZDQWJZ-UHFFFAOYSA-N

• 5-Chloro Salicylal
IUPAC Name: 5-chloro-2-hydroxybenzaldehyde | CAS Registry Number: 635-93-8
Synonyms: 5-Chlorosalicylaldehyde, 5-Chloro-2-hydroxybenzaldehyde, 4-Chloro-2-formylphenol, Benzaldehyde, 5-chloro-2-hydroxy-, SALICYLALDEHYDE, 5-CHLORO-, 2-Hydroxy-5-chlorobenzaldehyde, 447706_ALDRICH, NSC 3811, EINECS 211-244-4, NSC3811, BRN 0636632, SBB004013, ZINC00152645, AI3-52302, LS-144123, TL8004443, C-5400, 4-08-00-00224 (Beilstein Handbook Reference), InChI=1/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10

Molecular Formula: C7H5ClO2Molecular Weight: 156.566400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FUGKCSRLAQKUHG-UHFFFAOYSA-N

• 5-Bromooxindole
IUPAC Name: 5-bromo-1,3-dihydroindol-2-one | CAS Registry Number: 20870-78-4
Synonyms: 5-Bromoindalin-2-on, 5-Bromo-2-oxindole, 586552_ALDRICH, CID611193, SBB005897, ZINC02565584, B2079G1, 5-Bromo-1,3-dihydro-2H-indol-2-one, TL8006280, B-8958

Molecular Formula: C8H6BrNOMolecular Weight: 212.043340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VIMNAEVMZXIKFL-UHFFFAOYSA-N

• (4-Bromobutyl)triphenylphosphonium Bromide
IUPAC Name: 4-bromobutyl-tri(phenyl)phosphanium bromide | CAS Registry Number: 7333-63-3
Synonyms: NSC84071

Molecular Formula: C22H23Br2PMolecular Weight: 478.199781 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BJDNCJGRAMGIRU-UHFFFAOYSA-M

• 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

• 5-Bromo-4-Chloro-3-Indolyl-beta-D-Glucuronide acid, Monocyclohexyl-ammonium salt
IUPAC Name: (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate | CAS Registry Number: 114162-64-0
Synonyms: ZINC04262488, CID7157259

Molecular Formula: C14H12BrClNO7-Molecular Weight: 421.604580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: DHJFFLKPAYHPHU-BYNIDDHOSA-M

• 4-Bromo-2-methylaniline
IUPAC Name: 4-bromo-2-methylaniline | CAS Registry Number: 583-75-5
Synonyms: 4-Bromo-o-toluidine, 2-Amino-5-bromotoluene, 2-Methyl-4-bromoaniline, o-TOLUIDINE, 4-BROMO-, Benzenamine, 4-bromo-2-methyl-, NSC7093, 154253_ALDRICH, NSC 7093, EINECS 209-519-9, CID11423, BRN 0636521, ZINC00151686, AI3-00490, LS-154324, ST5208203, 4-12-00-01804 (Beilstein Handbook Reference)

Molecular Formula: C7H8BrNMolecular Weight: 186.049120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PCHYYOCUCGCSBU-UHFFFAOYSA-N

• 4-Bromo-2-chloroaniline
IUPAC Name: 4-bromo-2-chloroaniline | CAS Registry Number: 38762-41-3
Synonyms: Aniline, 4-bromo-2-chloro-, Benzenamine, 4-bromo-2-chloro-, 154245_ALDRICH, ZINC00388335, ST5406584, InChI=1/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H

Molecular Formula: C6H5BrClNMolecular Weight: 206.467600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: INMZDDDQLHKGPF-UHFFFAOYSA-N

• 4-Bromo-2-methoxyphenol
IUPAC Name: 4-bromo-2-methoxyphenol | CAS Registry Number: 7368-78-7
Synonyms: 4-Bromoguaiacol, NCIOpen2_005836, Phenol, 4-bromo-2-methoxy-, 533637_ALDRICH, NSC95679, ZINC00158195

Molecular Formula: C7H7BrO2Molecular Weight: 203.033280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WHSIIJQOEGXWSN-UHFFFAOYSA-N

• 4-Bromostyrene
IUPAC Name: 1-bromo-4-ethenylbenzene | CAS Registry Number: 2039-82-9
Synonyms: p-Bromostyrene, Styrene, p-bromo-, 4-BROMOSTYRENE, p-BROMO STYRENE, Benzene, 1-bromo-4-ethenyl-, 1-Bromo-4-vinylbenzene, 1-(4-Bromophenyl)ethylene, Styrene, p-bromo- (8CI), 124141_ALDRICH, CID16263, NSC60393, EINECS 218-022-6, NSC 60393, Benzene, 1-bromo-4-ethenyl- (9CI), B293, ST5406224, InChI=1/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H

Molecular Formula: C8H7BrMolecular Weight: 183.045180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WGGLDBIZIQMEGH-UHFFFAOYSA-N

• 1,2-O-cyclohexylidene-alpha-D-xylopentodialdo-1,4-furanose dimer
Synonyms: ZINC04262148, CID2724780

Molecular Formula: C22H32O10Molecular Weight: 456.483480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: BVWIFAPSAXFBRR-DTXAZLFXSA-N

• 3-Chloro-4-hydroxybenzoic acid
IUPAC Name: 3-chloro-4-hydroxybenzoic acid | CAS Registry Number: 3964-58-7
Synonyms: 3-CHLORO-4-HYDROXYBENZOIC ACID, 3-Chloro-4-hydroxybenzoate, C44605_ALDRICH, Benzoic acid, 3-chloro-4-hydroxy-, 3-Chloro-4-hydroxybenzoic scid, CID19860, NSC21186, EINECS 223-574-6, NSC 21186, SBB008420, FR-2027, 3-Chloro-4-hydroxybenzoic acid hemihydrate, Benzoic acid, 3-chloro-4-hydroxy- (8CI)(9CI), CHB, InChI=1/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11

Molecular Formula: C7H5ClO3Molecular Weight: 172.565800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QGNLHMKIGMZKJX-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

• 3,4-Dichloro Fluoro Benzene
IUPAC Name: 1,2-dichloro-4-fluorobenzene | CAS Registry Number: 1435-49-0
Synonyms: 3,4-Dichlorofluorobenzene, 1,2-Dichloro-4-fluorobenzene, NSC82300, CID74028, EINECS 215-858-3, ST5405266

Molecular Formula: C6H3Cl2FMolecular Weight: 164.992423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QSDKXMVGRLVIQV-UHFFFAOYSA-N

• 3,6-Difluorophthalic anhydride
IUPAC Name: 4,7-difluoro-2-benzofuran-1,3-dione | CAS Registry Number: 652-40-4
Synonyms: 4,7-difluoroisobenzofuran-1,3-dione, 3,6-Difluorophthalicanhydride, 4,7-difluoro-2-benzofuran-1,3-dione, SBB067423, PubChem1947, AC1LAHJX, 3,6-Difluorophthalic anhydride treated BSA, ACMC-1AVP1, KSC914S6P, 381128_ALDRICH, CTK8B4967, MolPort-001-777-330, WT043, ACT13000, ANW-46868, AKOS005258073, 4,7-Difluoro-isobenzofuran-1,3-dione, AC-5964, AG-F-57607, AG-L-63643

Molecular Formula: C8H2F2O3Molecular Weight: 184.096486 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AVLRPSLTCCWJKC-UHFFFAOYSA-N

• 2,3',4'-Trichloroacetophenone
IUPAC Name: 2-chloro-1-(3,4-dichlorophenyl)ethanone | CAS Registry Number: 42981-08-8
Synonyms: NSC243689, ZINC01764677

Molecular Formula: C8H5Cl3OMolecular Weight: 223.483700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BYTZWANJVUAPNO-UHFFFAOYSA-N

• 4-Bromophenylacetylene
IUPAC Name: 1-bromo-4-ethynylbenzene | CAS Registry Number: 766-96-1
Synonyms: 1-Bromo-4-ethynylbenzene, Benzene, 1-bromo-4-ethynyl-, 206512_ALDRICH, CID136603, B180, ST5408831, InChI=1/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6

Molecular Formula: C8H5BrMolecular Weight: 181.029300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LTLVZQZDXQWLHU-UHFFFAOYSA-N

• 3-(Chlorosulphonyl)benzoyl chloride
IUPAC Name: 3-chlorosulfonylbenzoyl chloride | CAS Registry Number: 4052-92-0
Synonyms: m-(Chlorosulfonyl)benzoyl chloride, 3-(Chlorosulfonyl)benzoyl chloride, Benzoyl chloride, 3-(chlorosulfonyl)-, 3-Chlorosulphonylbenzoyl chloride, EINECS 223-759-1, LS-42598, TL8002952, Benzoyl chloride, m-(chlorosulfonyl)- (7CI,8CI)

Molecular Formula: C7H4Cl2O3SMolecular Weight: 239.075860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XWEBTVZIZWEJOO-UHFFFAOYSA-N

• (R)-(+)-alpha, alpha-Diphenyl-2-pyrrolidinemethanol
IUPAC Name: di(phenyl)-[(2R)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 22348-32-9
Synonyms: ZINC03632771

Molecular Formula: C17H20NO+Molecular Weight: 254.346800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OGCGXUGBDJGFFY-MRXNPFEDSA-O

• 3-Aminophenylacetylene
IUPAC Name: 3-ethynylaniline | CAS Registry Number: 54060-30-9
Synonyms: 3-Ethynylaniline, m-Aminophenylacetylene, Benzenamine, 3-ethynyl-, 498289_ALDRICH, EINECS 258-944-6, ZINC02560531, FS000012, SL-00447

Molecular Formula: C8H7NMolecular Weight: 117.147880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NNKQLUVBPJEUOR-UHFFFAOYSA-N

• 1-Benzyl-4-Cyano-4-Hydroxypiperidine
IUPAC Name: 1-benzyl-4-hydroxypiperidine-4-carbonitrile | CAS Registry Number: 6094-60-6
Synonyms: Maybridge1_006722, CID80189, EINECS 228-043-2, BBV-21712229, 1-Benzyl-4-hydroxypiperidine-4-carbonitrile

Molecular Formula: C13H16N2OMolecular Weight: 216.278940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XQRLXUYZKZXSBN-UHFFFAOYSA-N

• 2-Acetamidobenzoic acid
IUPAC Name: 2-acetamidobenzoic acid | CAS Registry Number: 89-52-1
Synonyms: 2-Carboxyacetanilide, Acetylanthranilic acid, N-ACETYLANTHRANILIC ACID, o-Acetamidobenzoic acid, o-Acetoaminobenozic acid, o-Acetoaminobenzoic acid, N-Acetylanthranilate, 2-(Acetylamino)benzoic acid, Anthranilic acid, N-acetyl-, N-Acetylaminobenzoic acid, 2-acetamido-benzoic acid, Benzoic acid, 2-(acetylamino)-, Maybridge1_000763, 2-(Acetylamino)-benzoic acid, N-(Acetylamino)benzoic acid, Oprea1_069366, A12658_ALDRICH, CHEBI:36555, EINECS 201-914-4, NSC4000

Molecular Formula: C9H9NO3Molecular Weight: 179.172660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QSACCXVHEVWNMX-UHFFFAOYSA-N

• 2-Bromo-5-methylbenzoic acid
IUPAC Name: 2-bromo-5-methylbenzoic acid | CAS Registry Number: 6967-82-4
Synonyms: NSC20686, CID228080

Molecular Formula: C8H7BrO2Molecular Weight: 215.043980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZXMISUUIYPFORW-UHFFFAOYSA-N

• 4-Benzyloxyacetophenone
IUPAC Name: 1-[4-(phenylmethoxy)phenyl]ethanone | CAS Registry Number: 54696-05-8
Synonyms: 4'-(Benzyloxy) acetophenone, NSC56945, ZERO/004752, CID245226, ZINC00122583, Ethanone, 1-[4-(phenylmethoxy)phenyl]-

Molecular Formula: C15H14O2Molecular Weight: 226.270460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MKYMYZJJFMPDOA-UHFFFAOYSA-N

• 2-Bromo-1,3-Diethylbenzene
IUPAC Name: 2-bromo-1,3-diethylbenzene | CAS Registry Number: 65232-57-7
Synonyms: 2-Bromo-1,3-diethylbenzene, 2,6-Diethylbromobenzene, 1-Bromo-2,6-diethylbenzene, CHEMBL111762, ST50408751, AC1LAWKO, ACMC-20ao3d, 2,6-Diethylphenylbromide, SureCN62557, Benzene,2-bromo-1,3-diethyl-, 2-bromanyl-1,3-diethyl-benzene, CTK5C2416, ZINC02147036, AKOS015917672, AG-G-45443, MCULE-6332699807, AK-43153, FT-0611364, A835030, S01-0195

Molecular Formula: C10H13BrMolecular Weight: 213.114220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FPWGIABDOFXETH-UHFFFAOYSA-N

• 2-Bromostyrene
IUPAC Name: 1-bromo-2-ethenylbenzene | CAS Registry Number: 2039-88-5
Synonyms: o-Bromostyrene, Benzene, 1-bromo-2-ethenyl-, 132683_ALDRICH, EINECS 218-027-3, Benzene, ethenyl-, ar-bromo derivs., NCGC00164055-01, ST5405357, InChI=1/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H, 125904-11-2

Molecular Formula: C8H7BrMolecular Weight: 183.045180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SSZOCHFYWWVSAI-UHFFFAOYSA-N


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