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Nanjing Trihedron Chemical Technology Co., Ltd.

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Profile: Nanjing Trihedron Chemical Technology Co., Ltd. develops fine chemical products. Our products are pyridine, pyrimidine, furans, pyrrolic, thiophene category, thiazoles, imidazole, pyrazole, indole triazole and other heterocyclic compounds. Multi-substituted benzenes include 2-methyl-4-thiocyanatophenol, 2-methyl-3-nitroanisole, 2-fluoro-5-nitroanisole, 4-bromo-3,5-diiodobenzaldehyde, 3, 5-diiodobenzoic acid and 5-benzyl-2-bromo-4-methoxylbenzoic acid.

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• Benzarone
IUPAC Name: (2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone | CAS Registry Number: 1477-19-6
Synonyms: Fragivix, Vasoc, Benzaron, Fagivil, Venagil, Fragivil, EHBB, Benzaronum [INN-Latin], Benzarona [INN-Spanish], L 2197-Labaz, Benzarone [DCF:INN], Benzarone [INN:DCF], L 2179-Labaz, NCIOpen2_004472, 2-Ethyl-3-(4-hydroxybenzoyl)benzofuran, NSC82134, EINECS 216-026-2, 2-Ethyl-3-(p-hydroxybenzoyl)benzofuran, 2-Ethyl-4'-hydroxy-3-benzoylbenzofuran, NSC 82134

Molecular Formula: C17H14O3Molecular Weight: 266.291260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RFRXIWQYSOIBDI-UHFFFAOYSA-N

• Benzo[b]thiophen-3-ylmethylae
IUPAC Name: 1-benzothiophen-3-ylmethanamine | CAS Registry Number: 40615-04-1
Synonyms: benzo[b]thiophen-3-ylmethanamine, 3-Aminomethylbenzo[b]thiophene, 1-benzothiophen-3-ylmethanamine, CHEMBL1922273, CDS1_000991, AC1MCQWH, Maybridge1_005743, SureCN655428, Oprea1_646294, DivK1c_002031, AC1Q543O, AC1Q543P, 3-Aminomethyl benzo[b]thiophene, Benzo[b]thiophene-3-methanamine, Benzo[b]thiophen-3-ylmethylamine, CTK1D5562, 1-Benzothiophen-3-Yl-Methanamine, MolPort-001-795-040, 1-(1-benzothien-3-yl)methanamine, 1-(1-Benzothiophen-3-Yl)methanamine

Molecular Formula: C9H9NSMolecular Weight: 163.239460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WHTPXNOFEHTZAD-UHFFFAOYSA-N

• Ethanone, 1-(2-amino-4-methoxy-3-methylphenyl)-
IUPAC Name: 1-(2-amino-4-methoxy-3-methylphenyl)ethanone | CAS Registry Number: 912347-94-5
Synonyms: 1-(2-amino-4-methoxy-3-methylphenyl)ethanone, 2-METHYL-3-AMINO-4-ACETYLANISOLE, AG-H-74222, (2-Amino-3-methyl-4-methoxyphenyl)acetone, 1-(2-amino-4-methoxy-3-methylphenyl)-Ethanone, zlchem 579, PubChem19710, SureCN312873, ETH027, CTK5G9092, ZLD0023, ACT06000, ANW-52323, SBB069164, ZINC21303871, AKOS006306549, RP24058, AK-26434, BR-26434, EN000387

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VXBGCEDOGYNWHE-UHFFFAOYSA-N

• Ethoxymethylenemalononitrile
IUPAC Name: 2-(ethoxymethylidene)propanedinitrile | CAS Registry Number: 123-06-8
Synonyms: (Ethoxymethylene)malononitrile, 2-Cyano-3-ethoxyacrylonitrile, Ethoxymethylene malononitrile, USAF KF-10, Propanedinitrile, (ethoxymethylene)-, (Ethoxymethylene)propanedinitrile, USAF A-9230, E6200_ALDRICH, Malononitrile, (ethoxymethylene)-, WLN: NCYCN & 1O2, 2-(Ethoxymethylene)malononitrile, EINECS 204-597-0, ZERO/001251, NSC 27792, NSC27792, BRN 1634241, ZINC01641627, .alpha.-Cyano-.beta.-ethoxyacrylonitrile, AI3-28939, LS-88928

Molecular Formula: C6H6N2OMolecular Weight: 122.124640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OEICGMPRFOJHKO-UHFFFAOYSA-N

• Ethyl 2-(hydroxymethyl)acrylate
IUPAC Name: ethyl 2-(hydroxymethyl)prop-2-enoate | CAS Registry Number: 10029-04-6
Synonyms: Ethyl alpha-(hydroxymethyl) acrylate, 2-methylolacrylic acid ethyl ester, Ethyl 2-(hydroxymethyl)-2-propenoate, CID24827, BRN 1753938, ZINC02030916, LS-14714, 2-(Hydroxymethyl)acrylic Acid Ethyl Ester, H0916, ACRYLIC ACID, 2-(HYDROXYMETHYL)-, ETHYL ESTER, 4-03-00-00997 (Beilstein Handbook Reference), 2-Propenoic acid, 2-(hydroxymethyl)-, ethyl ester, 2-Propenoic acid, 2-(hydroxymethyl)-, ethyl ester (9CI)

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SYGAXBISYRORDR-UHFFFAOYSA-N

• Ethyl 2-(methylthio)pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-methylsulfanylpyrimidine-5-carboxylate | CAS Registry Number: 73781-88-1
Synonyms: 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester, ethyl 2-(methylsulfanyl)pyrimidine-5-carboxylate, ETHYL 2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLATE, AG-G-92296, Ethyl 2-(methylmercapto)pyrimidine-5-carboxylate, Ethyl 2-(methylsulphanyl)pyrimidine-5-carboxylate, 2-(Methylthio)-5-pyrimidinecarboxylicacidethylester, PubChem14388, SureCN243831, CTK2H7129, MolPort-003-987-831, ANW-72771, SBB065718, ZINC08699968, AKOS005146369, HP21852, PB17441, QC-2635, RP04165, AK-26811

Molecular Formula: C8H10N2O2SMolecular Weight: 198.242200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LVNRRUKCFUSBDL-UHFFFAOYSA-N

• Ethyl ethoxymethylenecyanoacetate
IUPAC Name: ethyl (E)-2-cyano-3-ethoxyprop-2-enoate | CAS Registry Number: 94-05-3
Synonyms: Ethyl 2-cyano-3-ethoxyacrylate, Ethyl 3-ethoxy-2-cyanoacrylate, Ethyl cyano(ethoxymethylene)acetate, EINECS 202-299-5, NSC 27797, ZINC02044004, 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester, Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester, AI3-23778, ST5308273, Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester (8CI), InChI=1/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6

Molecular Formula: C8H11NO3Molecular Weight: 169.177840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KTMGNAIGXYODKQ-VOTSOKGWSA-N

• Homovanillic Acid
IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid | CAS Registry Number: 306-08-1
Synonyms: Homovanillic acid, Homovanillate, Vanillacetic acid, HMPA, Lopac-H-1252, 4-Hydroxy-3-methoxyphenylacetic acid, Lopac0_000632, Oprea1_505423, MLS001056771, H1252_SIGMA, 3-Methoxy-4-hydroxyphenylacetate, Benzeneacetic acid, 4-hydroxy-3-methoxy-, 3-Methoxy-4-hydroxyphenylacetic acid, 4-Hydroxy-3-methoxybenzeneacetic acid, NSC16682, EINECS 206-176-7, Acetic acid, (4-hydroxy-3-methoxyphenyl)-, NSC 16682, NCGC00015497-01, NCGC00093999-01

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QRMZSPFSDQBLIX-UHFFFAOYSA-N

• Imidazo[1,2-a]pyridin-6-ylmethanol
IUPAC Name: imidazo[1,2-a]pyridin-6-ylmethanol | CAS Registry Number: 132213-07-1
Synonyms: imidazo[1,2-a]pyridin-6-ylmethanol, 6-(Hydroxymethyl)imidazo[1,2-a]pyridine, Imidazo[1,2-a]pyridine-6-methanol, AG-D-65472, ZINC03880855, ACMC-209zmz, AC1OEOW1, AC1Q7C3R, SureCN2049672, CTK0H3588, MolPort-000-142-956, ANW-50457, RW3168, SBB086580, AKOS006240730, CC33109, MCULE-4075581545, PB13061, QC-2573, RP01574

Molecular Formula: C8H8N2OMolecular Weight: 148.161920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IEOADZOTWIMSMC-UHFFFAOYSA-N

• Methyl Imidazo[1,2-A]pyridine-6-Carboxylate
IUPAC Name: methyl imidazo[1,2-a]pyridine-6-carboxylate | CAS Registry Number: 136117-69-6
Synonyms: MolPort-001-760-551, ZINC03884293, CID2764326, Methyl imidazo[1,2-a]pyridine-6-carboxylate, M67455, 7X-0857

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BTDBMFODXFTFIL-UHFFFAOYSA-N

• 5-Fluorobenzofuran-3-one
IUPAC Name: 5-fluoro-1-benzofuran-3-one | CAS Registry Number: 60770-49-2
Synonyms: 5-Fluoro-benzofuran-3-one, 5-fluorobenzofuran-3(2H)-one, SBB068497, PubChem18003, 5-Fluoro-3-Benzofuranone, AGN-PC-00KGHT, AC1Q4N1H, SureCN3152242, CTK5B2222, 3(2H)-Benzofuranone,5-fluoro-, MolPort-003-886-372, 5-fluoro-2H-1-benzofuran-3-one, BH797, 3(2H)-Benzofuranone, 5-fluoro-, 5-Fluorobenzo[b]furan-3(2H)-one, ACT08893, 5-Fluoro-1-benzofuran-3(2H)-one, ANW-56970, FC0586, ZINC16083115

Molecular Formula: C8H5FO2Molecular Weight: 152.122503 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AOFLDWWKVCKMDV-UHFFFAOYSA-N

• 3,5-Dibromoanisole
IUPAC Name: 1,3-dibromo-5-methoxybenzene | CAS Registry Number: 74137-36-3
Synonyms: 1,3-Dibromo-5-methoxybenzene, AG-G-94388, PubChem2009, 3,5-Dibromoanisole,, ACMC-1BH5R, SureCN309832, KSC493Q1D, CTK3J3811, MolPort-002-462-132, Benzene, 1,3-dibromo-5-methoxy-, ACN-S004640, ACT11656, ANW-36436, ZINC02579265, AKOS015834288, AC-3780, AM61638, AS01384, AS04144, LS10488

Molecular Formula: C7H6Br2OMolecular Weight: 265.929940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OQZAQBGJENJMHT-UHFFFAOYSA-N

• 3,5-dicyanofluorobenzene
IUPAC Name: 5-fluorobenzene-1,3-dicarbonitrile | CAS Registry Number: 453565-55-4
Synonyms: 5-Fluoroisophthalonitrile, 1,3-dicyano-5-fluorobenzene, 5-fluorobenzene-1,3-dicarbonitrile, 5-fluoroisopthalonitrile, 5-fluoro-1,3-benzenedicarbonitrile, SBB064434, 1,3-Benzenedicarbonitrile, 5-fluoro-, ZINC00153468, fluoroisophthalonitrile, PubChem4391, AC1MD3QT, 5-Fluoroisophthalonitrile;, SureCN1421650, KSC493M8N, CTK3J3686, MolPort-000-155-622, ACT12641, ANW-45801, RW3562, TD1137

Molecular Formula: C8H3FN2Molecular Weight: 146.121223 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJOYGTWYIUJJRU-UHFFFAOYSA-N

• 3-Chloro-4,5-difluoronitrobenzene
IUPAC Name: 1-chloro-2,3-difluoro-5-nitrobenzene | CAS Registry Number: 53780-44-2
Synonyms: EINECS 258-769-5, CID104606, 1-Chloro-2,3-difluoro-5-nitrobenzene

Molecular Formula: C6H2ClF2NO2Molecular Weight: 193.535386 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BSKCLLCICPDISV-UHFFFAOYSA-N

• 3-methyl-6-nifro-1H-indazole
IUPAC Name: 3-methyl-6-nitro-2H-indazole | CAS Registry Number: 6494-19-5
Synonyms: 3-Methyl-6-nitro-1H-indazole, 3-Methyl-6-nitroindazole, PubChem9492, PubChem18398, SureCN588431, SureCN1962143, KSC352S0D, 3-Methyl-6-nitro-1h-indazole;, CTK2F2901, ACN-S003364, ACT04824, ANW-51393, SBB067489, ZINC16677949, AKOS006336244, AKOS015842681, AG-G-43933, LS40005, PB24959, RP09305

Molecular Formula: C8H7N3O2Molecular Weight: 177.160080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FUNWSYKLFDLUIZ-UHFFFAOYSA-N

• 5-Methyl-2-mercaptobenzothiazole
IUPAC Name: 5-methyl-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 21303-50-4
Synonyms: 5-methyl-2-mercaptobenzothiazole, SureCN1770976, CTK4E6392, FC0634, 2(3H)-Benzothiazolethione,5-methyl-, AKOS006307078, AB62960, AG-E-56132, 5-METHYLBENZO[D]THIAZOLE-2-THIOL, KB-198005, 5-METHYL-1,3-BENZOTHIAZOLE-2-THIOL, I12-0396, 2-Benzothiazolethiol,5-methyl- (7CI);2-Benzothiazolinethione, 5-methyl- (8CI);2-Mercapto-5-methylbenzothiazole;5-Methyl-2-benzothiazolethiol;5-Methyl-2-mercaptobenzothiazole;

Molecular Formula: C8H7NS2Molecular Weight: 181.277880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ILDUPWKUQLPLKK-UHFFFAOYSA-N

• 5-Amino-2,4-Dimethylpyridine
IUPAC Name: 4,6-dimethylpyridin-3-amine | CAS Registry Number: 1193-71-1
Synonyms: 5-Amino-2,4-dimethylpyridine, 4,6-dimethylpyridin-3-amine, 3-AMINO-4,6-DIMETHYLPYRIDINE, 4,6-dimethyl-3-pyridinamine, 5-Amino-2,4-lutidine, 4,6-dimethyl-3-pyridylamine, 4,6-Dimethyl-pyridin-3-ylamine, AG-D-42244, F1957-0017, ZINC03881104, AC1OEP7A, SureCN4152897, 3-Pyridinamine,4,6-dimethyl-, CTK4B1247, MolPort-000-877-304, ANW-57863, SBB051865, AKOS002666144, AB41994, MCULE-5980684156

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SHSQTJRJQHPJRQ-UHFFFAOYSA-N

• 4-Chloro-2-Mercaptobenzothiazole
IUPAC Name: 4-chloro-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 1849-65-6
Synonyms: 4-Chlorobenzo[d]thiazole-2-thiol, 4-CHLORO-2-MERCAPTOBENZOTHIAZOLE, AG-E-34389, 4-CHLORO-2-MERCAPTOBENZO[D]THIAZOLE, SureCN3096248, KSC538Q7H, CTK4D8873, MolPort-004-751-808, MolPort-019-904-070, ANW-62802, 2(3H)-Benzothiazolethione,4-chloro-, AKOS016004154, AB23779, 4-chloro-3H-1,3-benzothiazole-2-thione, AK101648, BD233187, KB-190510, 4-chloranyl-3H-1,3-benzothiazole-2-thione, 4-CHLORO-1,3-BENZOTHIAZOLE-2-THIOL, A812907

Molecular Formula: C7H4ClNS2Molecular Weight: 201.696360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MYBFPRUVQGKNIV-UHFFFAOYSA-N

• 3-Amino-2,4-Dimethylpyridine
IUPAC Name: 2,4-dimethylpyridin-3-amine | CAS Registry Number: 1073-21-8
Synonyms: 3-Amino-2,4-dimethylpyridine, 2,4-dimethylpyridin-3-amine, 3-Amino-2,4-lutidine, 2,4-dimethyl-3-pyridylamine, SBB051855, 3-PYRIDINAMINE, 2,4-DIMETHYL-, SureCN580504, 3-Pyridinamine,2,4-dimethyl-, AGN-PC-002Z60, CTK4A5355, MolPort-001-770-129, 2,4-DIMETHYL-3-PYRIDINAMINE, ANW-64088, ZINC16124884, AKOS006339511, AB43810, AG-D-22667, AK-51484, EN001148, KB-29396

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FSYHJEBPLDNXAM-UHFFFAOYSA-N

• 2-Amino-4-Bromo-5-Chlorobenzoic Acid
IUPAC Name: 2-amino-4-bromo-5-chlorobenzoic acid | CAS Registry Number: 150812-32-1
Synonyms: 2-amino-4-bromo-5-chlorobenzoic acid, 4-Bromo-5-chloroanthranilicacid, 2-amino 4-bromo 5-chloro benzoic acid, Benzoic acid,2-amino-4-bromo-5-chloro-, PubChem19833, AGN-PC-00OUMD, ACMC-209z8e, SureCN7023673, KSC526O7R, CTK4C6778, 4-Bromo-5-chloroanthranilicacid;, WT336, ANW-49932, AKOS015854726, AG-D-97536, RP28916, 2-Amino-4-bromo-5-chloro-benzoic acid, AK-33403, BR-33403, EN000415

Molecular Formula: C7H5BrClNO2Molecular Weight: 250.477100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QLUCPCIKLHKGRW-UHFFFAOYSA-N

• 2-Methyl-4-thiocyanatophenol
IUPAC Name: (4-hydroxy-3-methylphenyl) thiocyanate | CAS Registry Number: 3774-53-6
Synonyms: NSC4470, NSC7392, MolPort-001-758-575, NSC31040, 4-hydroxy-3-methylphenyl thiocyanate, CID220928, ZINC00409898, 12X-0817

Molecular Formula: C8H7NOSMolecular Weight: 165.212280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WEAMLHXSIBDPGN-UHFFFAOYSA-N

• 2-nitro-4-bromobenzoic acid
IUPAC Name: 4-bromo-2-nitrobenzoate | CAS Registry Number: 99277-71-1
Synonyms: ZINC02571659, CID7021384

Molecular Formula: C7H3BrNO4-Molecular Weight: 245.007020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZIRHHEZLJGORGU-UHFFFAOYSA-M

• 2-Acetylbenzofuran
IUPAC Name: 1-(1-benzofuran-2-yl)ethanone | CAS Registry Number: 1646-26-0
Synonyms: 2-Acetylcumarone, 2-Acetylcoumarone, Ethanone, 1-(2-benzofuranyl)-, 2-Benzofuranyl methyl ketone, 1-(2-Benzofuranyl)ethanone, Maybridge1_007536, Benzofuran-2-yl methyl ketone, Benzo(b)furan-2-yl methyl ketone, 154377_ALDRICH, KETONE, 2-BENZOFURANYL METHYL, 1-(1-Benzofuran-2-yl)ethanone, EINECS 216-706-9, NSC 23974, NSC 28904, NSC23974, NSC28904, BRN 0117910, ZINC00102698, LS-87041, ST5214659

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YUTFQTAITWWGFH-UHFFFAOYSA-N

• 4-Bromo-2,6-difluorobenzoic acid
IUPAC Name: 4-bromo-2,6-difluorobenzoic acid | CAS Registry Number: 183065-68-1
Synonyms: 4-Bromo-2,6-difluorobenzoic Acid, 2,6-Difluoro-4-bromobenzoic acid, 4-Bromo-2,6-difluoro-benzoicacid, SBB052760, AG-E-32822, PubChem2476, AC1MCMQS, ACMC-1BX1Y, SureCN516974, KSC174K2F, Jsp003750, RARECHEM AL BE 1306, CTK0H4522, MolPort-000-151-913, ACT00285, 4-Bromo-2,6-difluorobenzoic acid,, ANW-23146, Benzoicacid, 4-bromo-2,6-difluoro-, AKOS005063384, AC-1684

Molecular Formula: C7H3BrF2O2Molecular Weight: 236.998326 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IRHPJGPQWZEZRX-UHFFFAOYSA-N

• 2-Chloro-3-fluoronitrobenzene
IUPAC Name: 2-chloro-1-fluoro-3-nitrobenzene | CAS Registry Number: 21397-07-9
Synonyms: Ambap1301, EINECS 244-365-6, 2-Chloro-1-fluoro-3-nitrobenzene, CID88883, TL8001774

Molecular Formula: C6H3ClFNO2Molecular Weight: 175.544923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NJZSQTMICFLABM-UHFFFAOYSA-N

• 3-Methoxy-2-methylacetanilide
IUPAC Name: N-(3-methoxy-2-methylphenyl)acetamide | CAS Registry Number: 50868-74-1
Synonyms: N-(3-methoxy-2-methylphenyl)acetamide, PubChem20196, SureCN1141399, CTK8I9395, 2'-Methyl-3'-methoxyacetanilide, AKOS006330405, RL03871, KB-55752

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KBZPZOAJAWIYDL-UHFFFAOYSA-N

• 2-Bromo-4-methoxy-5-(benzyloxy)benzaldehyde
IUPAC Name: 2-bromo-4-methoxy-5-phenylmethoxybenzaldehyde | CAS Registry Number: 6451-86-1
Synonyms: 2-bromo-4-methoxy-5-(benzyloxy)benzaldehyde, 6-Bromobenzyl isovanillin, 5-Benzyloxy-2-bromo-4-methoxybenzaldehyde, AG-G-42171, 2-bromo-4-methoxy-5-(phenylmethoxy)benzaldehyde, 2-BROMO-4-METHOXY-5-BENZYLOXYBENZALDEHYDE, AN-652/43285749, PubChem14831, KSC621G5P, CTK5C1357, MolPort-001-823-128, ACT00713, ANW-47519, SBB063768, ZINC02567215, AKOS015889657, AB06713, AC-14432, AK-30087, BR-30087

Molecular Formula: C15H13BrO3Molecular Weight: 321.165920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RUBXMEDWBCBLEZ-UHFFFAOYSA-N

• 2-Fluoro-5-Nitroanisole
IUPAC Name: 1-fluoro-2-methoxy-4-nitrobenzene | CAS Registry Number: 454-16-0
Synonyms: 2-fluoro-5-nitroanisole, 4-Fluoro-3-methoxynitrobenzene, 1-fluoro-2-methoxy-4-nitrobenzene, SBB063012, PubChem1055, ACMC-1AOKE, 2-Fluoro-5-nitroanisole,, SureCN122944, AGN-PC-001GJT, 3-methoxy-4-fluoronitrobenzene, CTK1D5552, MolPort-003-984-651, WT056, ACT00366, 1-fluoro-2-methoxy-4-nitro-benzene, ANW-30273, ZINC21299366, 454-16-0 2-fluoro-5-nitroanisole, AKOS005063669, 1-fluoranyl-2-methoxy-4-nitro-benzene

Molecular Formula: C7H6FNO3Molecular Weight: 171.125843 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AZNKKZHZGDZSIF-UHFFFAOYSA-N

• 2,4-Dimethyl-3-Nitropyridine
IUPAC Name: 2,4-dimethyl-3-nitropyridine | CAS Registry Number: 1074-76-6
Synonyms: 2,4-DIMETHYL-3-NITROPYRIDINE, 3-Nitro-2,4-dimethylpyridine, SBB055677, AG-D-23043, ACMC-2098wg, SureCN843559, AGN-PC-00NOY2, 2,4-dimethyl-3-nitro-pyridine, CTK4A5454, MolPort-001-770-764, Pyridine,2,4-dimethyl-3-nitro-, Pyridine, 2,4-dimethyl-3-nitro-, ANW-15806, ZINC16125318, AKOS005256761, AG-A-26055, MCULE-9969644594, AK-77384, KB-164823, ST50950006

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MOQKFCFVTVIJJS-UHFFFAOYSA-N

• 4-Methyl-2-Mercaptobenzothiazole
IUPAC Name: 4-methyl-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 2268-77-1
Synonyms: NSC503426, CID5138501

Molecular Formula: C8H7NS2Molecular Weight: 181.277880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: JACGKHGTBZGVMW-UHFFFAOYSA-N

• 2-Chloro-3,4-difluoroaniline
IUPAC Name: 2-chloro-3,4-difluoroaniline | CAS Registry Number: 36556-48-6
Synonyms: ACMC-20dyto, SureCN8375067, CTK4H6841, Benzenamine,2-chloro-3,4-difluoro-, AKOS006307077, AG-F-27717, AK119014, KB-68391

Molecular Formula: C6H4ClF2NMolecular Weight: 163.552466 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UKKFELITTUIEND-UHFFFAOYSA-N

• 1-benzothiophene-3-carbaldehyde
IUPAC Name: 1-benzothiophene-3-carbaldehyde | CAS Registry Number: 5381-20-4
Synonyms: Benzo[b]thiophene-3-carboxaldehyde, Thianaphthene-3-carboxaldehyde, 494968_ALDRICH, NSC18872, ZINC00158708, CC 12304, TL8003527

Molecular Formula: C9H6OSMolecular Weight: 162.208340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WDJLPQCBTBZTRH-UHFFFAOYSA-N

• 3-Hydroxy-4-methoxyphenylacetic acid
IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)acetic acid | CAS Registry Number: 1131-94-8
Synonyms: Isohomovanillic acid, Homo-iso-vanillic acid, MLS000574994, 4-Methoxy-3-hydroxyphenylacetic acid, 3-Hydroxy-4-methoxybenzeneacetic acid, (3-hydroxy-4-methoxyphenyl)acetic acid, SMR000156294

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BWXLCOBSWMQCGP-UHFFFAOYSA-N

• 3,5-Diiodobenzaldehyde
IUPAC Name: 3,5-diiodobenzaldehyde | CAS Registry Number: 17352-25-9
Synonyms: 3,5-diiodobenzaldehyde, AG-E-23057, Benzaldehyde,3,5-diiodo-, 3,5-bis(iodanyl)benzaldehyde, CTK4D4666, MolPort-005-941-399, ZINC22004948, AKOS005215873, AB42481, AK-60916, KB-28733, FT-0600726, A811524, I14-40226

Molecular Formula: C7H4I2OMolecular Weight: 357.915000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WBPOINHGBSDFDZ-UHFFFAOYSA-N

• 2-(4-Pyridinyl)benzaldehyde
IUPAC Name: 2-pyridin-4-ylbenzaldehyde | CAS Registry Number: 176526-00-4
Synonyms: 2-pyridin-4-ylbenzaldehyde, 2-(4-Pyridyl)benzaldehyde, benzaldehyde, 2-(4-pyridinyl)-, 2PNL-P04-0, ZINC02583837, InChI=1/C12H9NO/c14-9-11-3-1-2-4-12(11)10-5-7-13-8-6-10/h1-9

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

InChIKey: HPSCYFZOYJSYGZ-UHFFFAOYSA-N

• 4,5-Dibromo-2-furoic acid
IUPAC Name: 4,5-dibromofuran-2-carboxylic acid | CAS Registry Number: 2434-03-9
Synonyms: 4,5-dibromofuran-2-carboxylic Acid, 2,3-Dibromofuran-5-carboxylic acid, 4,5-Dibromo-2-furancarboxylic acid, SBB069102, zlchem 604, AC1N5GRP, ACMC-209xd1, SureCN274316, AC1Q72YC, KSC201E3J, 656291_ALDRICH, CTK1A1234, ZLD0051, MolPort-002-070-454, ACT03033, ANW-47507, 2-Furancarboxylicacid, 4,5-dibromo-, AKOS005264334, MCULE-1534979854, AK-32565

Molecular Formula: C5H2Br2O3Molecular Weight: 269.875580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BHUVICYZDBUMIU-UHFFFAOYSA-N

• 2-(5-Pyrimidinyl)benzaldehyde
IUPAC Name: 2-pyrimidin-5-ylbenzaldehyde | CAS Registry Number: 640769-71-7
Synonyms: 2-Pyrimidin-5-ylbenzaldehyde, ZINC02583835, 2PNL-P35-0, CID3807860

Molecular Formula: C11H8N2OMolecular Weight: 184.194020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JPSJBEALHNYNBL-UHFFFAOYSA-N

• 3-Trifluoromethyl Acetophenone
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanone | CAS Registry Number: 349-76-8
Synonyms: 3'-(Trifluoromethyl)acetophenone, 3-Acetylbenzotrifluoride, 3-Trifluoromethylacetophenone, m-Trifluoromethylacetophenone, 233161_ALDRICH, NSC81888, 91745_FLUKA, CID67682, JRD-0181, NSC59177, EINECS 206-490-4, ZINC00163150, Ethanone, 1-(3-(trifluoromethyl)phenyl)-, Ethanone, 1-[3-(trifluoromethyl)phenyl]-, ST5406485, InChI=1/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H

Molecular Formula: C9H7F3OMolecular Weight: 188.146490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ABXGMGUHGLQMAW-UHFFFAOYSA-N

• 2-Amino-4-bromobenzoic acid
IUPAC Name: 2-amino-4-bromobenzoic acid | CAS Registry Number: 20776-50-5
Synonyms: Ambap1224, 664863_ALDRICH, EINECS 244-025-7, CID88691, NCGC00171016-01, TL8001716, PK04_096199

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

InChIKey: BNNICQAVXPXQAH-UHFFFAOYSA-N

• 2-Fluoro-5-iodobenzaldehyde
IUPAC Name: 2-fluoro-5-iodobenzaldehyde | CAS Registry Number: 146137-76-0
Synonyms: 2-fluoro-5-iodo-benzaldehyde, SBB063108, PubChem4222, ACMC-1BYPB, AC1Q4MI0, 543314_ALDRICH, CTK3J7367, MolPort-001-778-066, 2-fluoranyl-5-iodanyl-benzaldehyde, ANW-44307, CL8282, ZINC02506821, AKOS015888145, AG-D-90314, AM84201, AS03884, AK-80076, BP-12685, KB-24036, FT-0658423

Molecular Formula: C7H4FIOMolecular Weight: 250.008933 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BIRCCQCPGMMGPJ-UHFFFAOYSA-N

• 4,6-Dimethyl-3-Nitropyridine
IUPAC Name: 2,4-dimethyl-5-nitropyridine | CAS Registry Number: 1074-99-3
Synonyms: 2,4-Dimethyl-5-nitropyridine, 4,6-DIMETHYL-3-NITROPYRIDINE, SBB055686, AG-D-23091, 2,4-dimethyl-5-nitro-pyridine, 3-Nitro-4,6-lutidine, ACMC-1BU0H, SureCN843761, AGN-PC-00NOY1, CTK4A5468, MolPort-001-770-982, Pyridine,2,4-dimethyl-5-nitro-, Pyridine, 2,4-dimethyl-5-nitro-, ACT01403, ANW-15815, RW3776, ZINC15781252, AKOS015911537, AG-A-64424, MCULE-2750152045

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GMAJNANLBOHCAU-UHFFFAOYSA-N

• 3-Cyano-2-ethylbenzofuran
IUPAC Name: 2-ethyl-1-benzofuran-3-carbonitrile | CAS Registry Number: 42901-97-3
Synonyms: MolPort-002-469-848, ZINC04218502, CID7131038, T5441964

Molecular Formula: C11H9NOMolecular Weight: 171.195260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JUFZEKMBCHUDJC-UHFFFAOYSA-N

• 4-Aminophthalide
IUPAC Name: 4-amino-3H-2-benzofuran-1-one | CAS Registry Number: 59434-19-4
Synonyms: 4-amino-3H-isobenzofuran-1-one, AG-G-11815, PubChem22580, SureCN2045834, 4-aminoisobenzofuran-1(3H)-one, CTK5A9949, MolPort-000-882-073, 4-azanyl-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,4-amino-, 1(3H)-Isobenzofuranone, 4-amino-, ANW-45478, RW3118, SBB068251, ZINC02529199, AKOS000278076, QC-2169, AK-41573, 4-AMINO-2-BENZOFURAN-1(3H)-ONE, KB-189365, AM20080753

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KOIAVJZQMYBLJJ-UHFFFAOYSA-N

• 2-Aminoquinoline
IUPAC Name: quinolin-2-amine | CAS Registry Number: 580-22-3
Synonyms: 2-Quinolinamine, Quinoline, 2-amino-, Aminoquinoline, Quinolinamine, 2-AMINOQUINOLINE, Fragment 19, quinolin-2-ylamine, CCRIS 1677, EINECS 209-458-8, NSC 57739, NSC 58387, NSC57739, NSC58387, BRN 0113163, LS-141297, ST5409632, 5-22-10-00220 (Beilstein Handbook Reference), AC-907/25014242, 2AQ, 31135-62-3

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GCMNJUJAKQGROZ-UHFFFAOYSA-N

• 6,7-dihydro-5H-quinoline-8-one
IUPAC Name: 6,7-dihydro-5H-quinolin-8-one | CAS Registry Number: 56826-69-8
Synonyms: 6,7-dihydro-5H-quinolin-8-one, 6,7-dihydroquinolin-8(5h)-one, 8(5h)-quinolinone, 6,7-dihydro-, 6,7-dihydro-8(5H)-quinolinone, AG-F-99899, PubChem14090, AGN-PC-00FAEH, SureCN728503, KSC269I1J, CTK1G9414, MolPort-002-499-420, ACT09162, AC-346, ANW-54118, RW2752, SBB062980, ZINC02512985, AKOS004118051, AB16309, LS40612

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JIAKIQWNYAZUJD-UHFFFAOYSA-N

• 2-methyl thieno[2,3-d]thiazole
IUPAC Name: 2-methylthieno[2,3-d][1,3]thiazole | CAS Registry Number: 61612-02-0
Synonyms: 2-Methylthieno[2,3-d]thiazole, PubChem14385, SureCN2931821, CTK2F2902, MolPort-005-940-848, ZINC22002134, AKOS006273391, 2-methylthieno[2,3-d][1,3]thiazole, AG-G-24685, QC-6025, AK112890, KB-173835, A833331

Molecular Formula: C6H5NS2Molecular Weight: 155.240600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LYRYMIMXAYOASW-UHFFFAOYSA-N

• 6-methyl-2-mercaptobenzothiazole
IUPAC Name: 6-methyl-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 2268-79-3
Synonyms: 6-methyl-1,3-benzothiazole-2-thiol, AC1OEPMG, SureCN1771426, CHEMBL568738, CTK4E9945, MolPort-004-751-802, FC0635, STL301553, 6-METHYL-2-BENZOTHIAZOLETHIOL, 2(3H)-Benzothiazolethione,6-methyl-, AKOS005206611, AB42352, AG-E-65020, MCULE-8075635653, 6-methyl-3H-1,3-benzothiazole-2-thione, 6-METHYLBENZO[D]THIAZOLE-2-THIOL, KB-199557, I10-0442, 2-Benzothiazolethiol,6-methyl- (7CI,8CI);2-Mercapto-6-methylbenzothiazole;6-Methyl-2-benzothiazolethiol;

Molecular Formula: C8H7NS2Molecular Weight: 181.277880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KECHYAFVYLLNCH-UHFFFAOYSA-N

• 6-Bromo-2-mercaptobenzothiazole
IUPAC Name: 6-bromo-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 51618-30-5
Synonyms: 6-Bromobenzo[d]thiazole-2(3H)-thione, AG-F-74954, PubChem21819, ACMC-209kv1, AGN-PC-006RQA, SureCN1849649, KSC494S6F, CTK3J4962, ANW-31307, FC0638, SBB067664, 2(3H)-Benzothiazolethione, 6-bromo-, AKOS015835943, AKOS016004915, 6-bromo-3H-1,3-benzothiazole-2-thione, AK105878, KB-44814, 2-MERCAPTO-6-BROMOBENZO[D]THIAZOLE, 6-bromanyl-3H-1,3-benzothiazole-2-thione, FT-0656582

Molecular Formula: C7H4BrNS2Molecular Weight: 246.147360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KNFZKHAWHVYFFI-UHFFFAOYSA-N

• 2,3-Difluoro-4-Methoxybenzoic Acid
IUPAC Name: 2,3-difluoro-4-methoxybenzoic acid | CAS Registry Number: 329014-60-0
Synonyms: Ambap4157, JRD-1522, 2,3-Difluoro-4-methoxybenzoic acid, 2,3-difluoro-4-methoxy-benzoic Acid, CID3611682

Molecular Formula: C8H6F2O3Molecular Weight: 188.128246 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OBSJPUVORWCLNA-UHFFFAOYSA-N

• 4-Bromo-3,5-Diiodobenzoic Acid
IUPAC Name: 4-bromo-3,5-diiodobenzoic acid | CAS Registry Number: 861117-99-9
Synonyms: 4-BROMO-3,5-DIIODOBENZOIC ACID, CTK5F6269, Benzoic acid,4-bromo-3,5-diiodo-, AKOS016000600, AG-H-47376, QC-5493, AK119021, KB-189871

Molecular Formula: C7H3BrI2O2Molecular Weight: 452.810460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GYACLFCYRGVTOB-UHFFFAOYSA-N


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