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Shanghai Apichemical Co., Ltd.

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Web: http://www.apichemical.com
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Address: Room 702, South Buiding, No 50 Yongshou Rd, Huangpu District, Shanghai 200001, China
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Profile: Shanghai Apichemical Co., Ltd. specializes in the design, synthesis, sales and outsourcing of organic compounds for the pharmaceutical, drug discovery, agrochemical & biotechnology industries. Our product line includes C-cyclopentyl-methylamine hydrochloride, 2-aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester hydrochloride, 4-aminomethyl-piperidine-1-carboxylic acid benzyl ester hydrochloride, 2-aminomethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester, 2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester and (R)-2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester.

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• 4-Bromo-1,2-epoxybutane
IUPAC Name: 2-(2-bromoethyl)oxirane | CAS Registry Number: 13287-42-8
Synonyms: (2-Bromoethyl)ocirane, 2-(2-Bromoethyl)oxirane, 1,2-Epoxy-4-bromobutane, Ocirane, (2-bromoethyl)-, Oxirane, (2-bromoethyl)-, NSC295369

Molecular Formula: C4H7BrOMolecular Weight: 151.001780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZKODPGZNBMIZFX-UHFFFAOYSA-N

• 9H-Carbazole, 3-bromo-9-phenyl-
IUPAC Name: 3-bromo-9-phenylcarbazole | CAS Registry Number: 1153-85-1
Synonyms: 3-Bromo-9-phenylcarbazole, 3-BROMO-N-PHENYLCARBAZOLE, SBB054648, AG-D-36405, SureCN261514, KSC493S2D, 3-bromanyl-9-phenyl-carbazole, ACMC-2099q1, CTK3J3921, ACT04583, ANW-16871, ZINC35570382, AKOS015834707, LS40918, QC-1245, RP16514, AK-32902, BR-32902, KB-30528, AM20050216

Molecular Formula: C18H12BrNMolecular Weight: 322.198580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KUBSCXXKQGDPPD-UHFFFAOYSA-N

• (2-Chloro-5-Methylpyrimidin-4-Yl)amine
IUPAC Name: (2-amino-5-methylthiophen-3-yl)-(2-chlorophenyl)methanone | CAS Registry Number: 14394-70-8
Synonyms: 50508-57-1, CTK1G6594, ZINC22048222, AG-F-69875, (2-amino-5-methyl-3-thienyl)(2-chlorophenyl)methanone, (2-amino-5-methylthiophen-3-yl)-(2-chlorophenyl)methanone, Methanone, (2-amino-5-methyl-3-thienyl)(2-chlorophenyl)-

Molecular Formula: C12H10ClNOSMolecular Weight: 251.731900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OFXVJJAAUSIJII-UHFFFAOYSA-N

• 5-Amino-1-Methyl-1H-Benzimidazole-2-Butanoic Acid Ethyl Ester
IUPAC Name: ethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate | CAS Registry Number: 3543-73-5
Synonyms: 1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester, 5-Amino-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester, ethyl 4-(5-amino-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate, 5-amino-1-methyl-2-Benzimidazolebutyric acid ethyl ester, PubChem23571, SureCN10021006, CTK8B5052, MolPort-003-848-707, ANW-47233, STL243865, ZINC22062556, AKOS015917947, AC-6922, LS41059, MCULE-2416938087, QC-1292, AK-40683, BR-40683, KB-51171, AB1008552

Molecular Formula: C14H19N3O2Molecular Weight: 261.319560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JUMGOLYNZBZPKE-UHFFFAOYSA-N

• 1,2,3,3-Tetramethylbenz[e]indolium Iodide
IUPAC Name: 1,1,2,3-tetramethylbenzo[e]indol-3-ium | CAS Registry Number: 58464-25-8
Synonyms: MLS000584195, ZINC01496655, CID2783649, SMR000203358, 1,1,2,3-tetramethyl-1H-benzo[e]indolium

Molecular Formula: C16H18N+Molecular Weight: 224.320820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FZBNRFHFAZCQNK-UHFFFAOYSA-N

• 4-(3-Hydroxypropylamino)-1,3-Dimethyluracil
IUPAC Name: 4-(3-hydroxypropylamino)-1,3-dimethyl-4H-pyrimidin-2-one | CAS Registry Number: 34654-80-3
Synonyms: EINECS 252-128-3, 4-(3-Hydroxypropylamino)-1,3-dimethyluracil

Molecular Formula: C9H17N3O2Molecular Weight: 199.250180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QVBKNQCTHMMDQP-UHFFFAOYSA-N

• 3,5-Dibromo-1-Methyl-2(1H)-Pyridinone
IUPAC Name: 3,5-dibromo-1-methylpyrazin-2-one | CAS Registry Number: 14529-54-5
Synonyms: AmbTiD90125, 3,5-Dibromo-1-methyl-1H-pyrazin-2-one, D90125

Molecular Formula: C5H4Br2N2OMolecular Weight: 267.906060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LNVJQIHAUHVGEV-UHFFFAOYSA-N

• (R)-3-Amino-Piperidine dihydrochloride
IUPAC Name: (3R)-piperidin-3-amine;dihydrochloride | CAS Registry Number: 334618-23-4
Synonyms: (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE, (R)-(-)-3-Aminopiperidine dihydrochloride, (R)-3-Piperidinamine dihydrochloride, (R)-3-Aminopiperidine 2hcl, R-3-Aminopiperidine Dihydrochloride, (R)-(-)-3-Aminopiperidine 2HCl, (r)-piperidin-3-amine dihydrochloride, (3R)-piperidin-3-amine dihydrochloride, (R)-3-AminopiperidineDihydrochloride, PubChem3013, SureCN306090, KSC495Q2L, 15626_ALDRICH, 666297_ALDRICH, 15626_FLUKA, CTK3J5825, MolPort-000-000-370, R-3-AMINO PIPERIDINE DIHCL, ACN-S003802, ACT04891

Molecular Formula: C5H14Cl2N2Molecular Weight: 173.084060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: GGPNYXIOFZLNKW-ZJIMSODOSA-N

• 2-Chloropyridine-3-boronic Acid
IUPAC Name: (2-chloropyridin-3-yl)boronic acid | CAS Registry Number: 381248-04-0
Synonyms: 2-Chloropyridine-3-boronic acid, C252, TL8002792

Molecular Formula: C5H5BClNO2Molecular Weight: 157.362700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VRDAOVQZVXYRNH-UHFFFAOYSA-N

• 3-Bromo-2-(bromomethyl)propionic acid
IUPAC Name: 3-bromo-2-(bromomethyl)propanoic acid | CAS Registry Number: 41459-42-1
Synonyms: .beta.,.beta.-Dibromoisobutyric acid, 301620_ALDRICH, 16493_FLUKA, beta,beta'-Dibromoisobutyric acid, CID318915, NSC259720, 3-Bromo-2-(bromomethyl)propanoic acid, Propanoic acid, 3-bromo-2-(bromomethyl)-, TL8002996

Molecular Formula: C4H6Br2O2Molecular Weight: 245.897240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QQZJWQCLWOQDQV-UHFFFAOYSA-N

• 2-Bromo-4-thiazolecarboxylic acid
IUPAC Name: 2-bromo-1,3-thiazole-4-carboxylic acid | CAS Registry Number: 5198-88-9
Synonyms: B2124M500

Molecular Formula: C4H2BrNO2SMolecular Weight: 208.033180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BEGREHRAUWCAHV-UHFFFAOYSA-N

• 3-Bromo-2-chloropyridine
IUPAC Name: 3-bromo-2-chloropyridine | CAS Registry Number: 52200-48-3
Synonyms: 553751_ALDRICH, CID693324, SBB003618, ZINC00065256, B196, TL8003445, AC-907/25004333

Molecular Formula: C5H3BrClNMolecular Weight: 192.441020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HDYNIWBNWMFBDO-UHFFFAOYSA-N

• 4-Chloro-3-fluorotoluene
IUPAC Name: 1-chloro-2-fluoro-4-methylbenzene | CAS Registry Number: 5527-94-6
Synonyms: 3-Fluoro-4-chlorotoluene, 1-chloro-2-fluoro-4-methylbenzene, 2-fluoro-4-methylchlorobenzene, PubChem1611, AC1MC5XC, SureCN170493, 3-fluoro-4-chloro toluene, KSC493O2L, CTK3J3725, MolPort-001-778-172, ACT00813, ANW-51168, SBB086381, ZINC02512526, AKOS005063637, AC-7434, AM62029, AS02760, TF10561, Benzene, 1-chloro-2-fluoro-4-methyl-

Molecular Formula: C7H6ClFMolecular Weight: 144.573943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MHXNHUSVBYUTJL-UHFFFAOYSA-N

• (1-Phenyl-1H-pyrazol-4-yl)methanol
IUPAC Name: (1-phenylpyrazol-4-yl)methanol | CAS Registry Number: 70817-26-4
Synonyms: ZINC00340724, CID822983, (1-phenyl-1H-pyrazol-4-yl)methanol, AG-613/31140002

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UCPVQFRIXFGLOJ-UHFFFAOYSA-N

• 2-hydroxybenzeneboronic Acid
IUPAC Name: (2-hydroxyphenyl)boronic acid | CAS Registry Number: 89466-08-0
Synonyms: 2-Hydroxyphenylboronic acid, H3736G1

Molecular Formula: C6H7BO3Molecular Weight: 137.928980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: YDMRDHQUQIVWBE-UHFFFAOYSA-N

• 2-Methylbenzimidazole-5-carboxylic acid
IUPAC Name: 2-methyl-3H-benzimidazole-5-carboxylate | CAS Registry Number: 709-19-3
Synonyms: ZINC00873422, ZINC00066113, CID6922273

Molecular Formula: C9H7N2O2-Molecular Weight: 175.164080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GZHWABCBKGMLIE-UHFFFAOYSA-M

• 1-phenyl-1H-pyrazole-4-carbaldehyde
IUPAC Name: 1-phenylpyrazole-4-carbaldehyde | CAS Registry Number: 54605-72-0
Synonyms: 1-Phenyl-1H-pyrazole-4-carbaldehyde, ARONIS006262, ZINC00555935, ALBB-000104, CID952089, SBB010539, GL-1077, BAS 08768151

Molecular Formula: C10H8N2OMolecular Weight: 172.183320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PHVRLPFVPVKYOI-UHFFFAOYSA-N

• 3-(N-Phenyl-N-methyl)aminoacrolein
IUPAC Name: (E)-3-(N-methylanilino)prop-2-enal | CAS Registry Number: 14189-82-3
Synonyms: 34900-01-1, AG-D-83182, N-METHYL-N-PHENYL-3-AMINOACROLEIN, MolPort-005-938-438, trans 3-(N-Methylanilino)acrolein, SBB064106, ZINC02556482, AKOS006275202, (E)-3-(Methylphenylamino)-2-propenal, 3-N-METHYL-N-PHENYLAMINOACROLEINI, (E)-3-(methyl(phenyl)amino)acrylaldehyde, AC-20069, KB-27703, U448, FT-0656451, FT-0671337, I01-4021

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YLMOTKLYENPQLK-VMPITWQZSA-N

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

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

InChIKey: WDBAXYQUOZDFOJ-UHFFFAOYSA-N

• 1-Boc-3-pyrrolidinone
IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate | CAS Registry Number: 101385-93-7
Synonyms: N-Boc-3-pyrrolidinone, N-Boc-3-pyrrolidinol, 637564_ALDRICH, AIDS071255, AIDS-071255, ZINC04202590, tert-Butyl 3-oxopyrrolidinecarboxylate, N-(tert-Butoxycarbonyl)-3-pyrrolidinone, TL806112

Molecular Formula: C9H15NO3Molecular Weight: 185.220300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JSOMVCDXPUXKIC-UHFFFAOYSA-N

• (R)-2-methylpyrrolidine hydrochloride
IUPAC Name: (2R)-2-methylpyrrolidine;hydrochloride | CAS Registry Number: 135324-85-5
Synonyms: (2R)-2-methylpyrrolidine Hydrochloride, (r)-2-methylpyrrolidine hcl, (R)-(-)-2-Methylpyrrolidine HCl, (R)-2-Methylpyrrolidinehydrochloride, (R)-2-Methyl-pyrrolidine hydrochloride, PubChem11117, SureCN238775, KSC495M9F, CTK3J5692, MolPort-002-499-366, ANW-52373, (R)-2-METHYL-PYRROLIDINE HCL, AKOS005146077, AKOS015844405, (r)-2-methyl pyrrolidine hydrochloride, AB29488, AC-6782, AG-A-07273, RP19442, (2R)-2-METHYLPYRROLIDINE, HCL

Molecular Formula: C5H12ClNMolecular Weight: 121.608480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: JNEIFWYJFOEKIM-NUBCRITNSA-N

• 3-Bromobenzenesulphonyl chloride
IUPAC Name: 3-bromobenzenesulfonyl chloride | CAS Registry Number: 2905-24-0
Synonyms: 3-Bromobenzenesulfonyl chloride, 545716_ALDRICH, M-BROMOBENZENESULPHONYL CHLORIDE, CID17943, TL 00352

Molecular Formula: C6H4BrClO2SMolecular Weight: 255.516760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PJGOLCXVWIYXRQ-UHFFFAOYSA-N

• 2,6-Piperidinedione, 3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-
IUPAC Name: 3-(7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione | CAS Registry Number: 827026-45-9
Synonyms: 3-(4-Nitro-1-oxoisoindolin-2-yl)piperidin-2,6-dione, AG-H-30852, 3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione, 3-(4-nitro-1-oxoisoindolin-2-yl)piperidine-2,6-dione, PubChem19172, SureCN33677, AGN-PC-009S6E, CHEMBL197063, CTK5E9959, 3-(7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione, ALBB-015320, ANW-67747, SBB067455, AKOS005174868, AKOS015912365, AC-5511, AK-82225, KB-69874, AM20090671, FT-0658593

Molecular Formula: C13H11N3O5Molecular Weight: 289.243540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: JKPJLYIGKKDZDT-UHFFFAOYSA-N

• 2-Indanylacetic acid
IUPAC Name: 2-(2,3-dihydro-1H-inden-2-yl)acetic acid | CAS Registry Number: 37868-26-1
Synonyms: 2-(2,3-dihydro-1H-inden-2-yl)acetic Acid, 2,3-dihydro-1H-inden-2-ylacetic acid, ST50408081, Indan-2-ylacetic acid, PubChem16311, AC1NQG0G, 2-indan-2-ylacetic acid, SureCN1340255, INDAN-2-YL-ACETIC ACID, CTK1C0742, MolPort-001-794-397, AC1Q7536, ANW-65609, AKOS009158243, AB03118, MCULE-9878010081, 1H-Indene-2-aceticacid, 2,3-dihydro-, AK-90079, KB-13796, FT-0612648

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: TULDPXYHBFBRGW-UHFFFAOYSA-N

• 4-(2-aminoethyl)morpholine
IUPAC Name: 2-morpholin-4-ylethanamine | CAS Registry Number: 2038-03-1
Synonyms: N-Aminoethylmorpholine, 4-Morpholineethanamine, 2-Morpholinoethylamine, 4-(2-Aminoethyl)morpholine, N-2-Aminoethylmorpholine, Morpholine, 4-(2-aminoethyl)-, 2-morpholin-4-ylethanamine, A55004_ALDRICH, N-2-Aminoethylmorfolin [Czech], 2-morpholin-4-yl-ethyl-amine, beta-Aminoaethyl-morpholin [German], EINECS 218-011-6, AIDS018839, AIDS-018839, BRN 0104378, AI3-52273, DB03096, LS-92405, SL-01919, 4-27-00-00370 (Beilstein Handbook Reference)

Molecular Formula: C6H14N2OMolecular Weight: 130.188160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RWIVICVCHVMHMU-UHFFFAOYSA-N

• 4-Pyridylacetylene
IUPAC Name: 4-ethynylpyridine | CAS Registry Number: 2510-22-7
Synonyms: 4-ethynylpyridine, pyridine, 4-ethynyl-, SBB055516, 4-Ethynylpiperidine;, AGN-PC-0CPVSZ, AC1LD5TJ, ACMC-1CFB2, (PYRIDIN-4-YL)ACETYLENE, CTK1A1211, MolPort-009-196-990, ANW-25616, ZINC02506783, AKOS008901245, AG-C-03183, PB29291, AK-61719, KB-38625, E0561, FT-0083658, FT-0651527

Molecular Formula: C7H5NMolecular Weight: 103.121300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FDEDJRHULYIJOR-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

• 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

• 2-Methoxypyridine-5-boronic Acid
IUPAC Name: (6-methoxypyridin-3-yl)boronic acid | CAS Registry Number: 163105-89-3
Synonyms: 637610_ALDRICH, 2-Methoxy-5-pyridineboronic acid, 2-Methoxypyridine-5-boronic acid, BM133, MO 01245

Molecular Formula: C6H8BNO3Molecular Weight: 152.943620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DHADXDMPEUWEAS-UHFFFAOYSA-N

• 2-Hydroxy-5-bromopyrimidine
IUPAC Name: 5-bromo-1H-pyrimidin-2-one | CAS Registry Number: 38353-06-9
Synonyms: 5-Bromo-2-hydroxypyrimidine, 5-Bromo-2(1H)-pyrimidinone, 5-Bromo-2-pyrimidinone, 2(1H)-Pyrimidinone, 5-bromo-, 5-Bromo-1H-pyrimidin-2-one, 588172_ALDRICH, EINECS 253-896-2, NSC528730, ZINC04002614, B2618G1, NSC 528730, ST5408823, TL8002804, 214290-49-0

Molecular Formula: C4H3BrN2OMolecular Weight: 174.983420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VTUDATOSQGYWML-UHFFFAOYSA-N

• 4-Methoxy-2-(trifluoromethyl)benzaldehyde
IUPAC Name: 4-methoxy-2-(trifluoromethyl)benzaldehyde | CAS Registry Number: 106312-36-1
Synonyms: 4-methoxy-2-(trifluoromethyl)benzaldehyde, 4-Formyl-3-(trifluoromethyl)anisole, SBB063622, AG-D-20641, Benzaldehyde, 4-methoxy-2-(trifluoromethyl)-, PubChem1463, AC1MCSY8, ACMC-1C5GX, KSC504I7T, CTK4A4479, MolPort-001-773-774, 2-Formyl-5-methoxybenzotrifluoride, ACT01001, 2-(Trifluoromethyl)-p-anisaldehyde;, ANW-15331, ZINC02572880, AKOS005256268, 4-Methoxy-2-trifluoromethylbenzaldehyde, AC-3855, AS01482

Molecular Formula: C9H7F3O2Molecular Weight: 204.145890 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BVPVUMRIGHMFNV-UHFFFAOYSA-N

• 5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazole
IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile | CAS Registry Number: 120068-79-3
Synonyms: 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile, ZINC02559778, AC1MNH6K, ACMC-20a01f, SureCN239495, KSC497G4B, CTK3J7340, MolPort-002-886-571, AC-044, ANW-50977, BBL004123, SBB067286, STK292765, AKOS005107303, DF10056, MCULE-3857003509, AK-28741, BR-28741

Molecular Formula: C11H5Cl2F3N4Molecular Weight: 321.085410 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: QPZYPAMYHBOUTC-UHFFFAOYSA-N

• 4-Carbomethoxytetrahydro-3-Thiophene
IUPAC Name: methyl 4-oxothiolane-3-carboxylate | CAS Registry Number: 2689-68-1
Synonyms: 4-Carbomethoxy-3-thiophanone, 4-Carbomethoxytetrahydro-3-thiophenone, Methyl tetrahydro-4-oxo-3-thenoate, EINECS 220-256-9, NSC127560, Methyl tetrahydro-4-oxo-3-thiophenecarboxylate, NSC 127560, SDCCGMLS-0066124.P001, KM 00409, Methyl 3-oxotetrahydrothiophene-4-carboxylate, 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester, 22097-90-1, 99328-39-9

Molecular Formula: C6H8O3SMolecular Weight: 160.190920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LEAKUJFYXNILRB-UHFFFAOYSA-N

• 7-Fluoroisatin
IUPAC Name: 7-fluoro-1H-indole-2,3-dione | CAS Registry Number: 317-20-4
Synonyms: 7-Fluoro-1H-indole-2,3-dione, 7-fluoroindoline-2,3-dione, 7-Fluoroindole-1H-2,3-dione, 7-Fluoroindole-2,3-dione, 7-fluoro-2,3-indolinedione, 7-FLUOROISATINE, 7-fluor-1h-indol-2,3-dion, 1H-Indole-2,3-dione, 7-fluoro-, SBB067159, 7-fluoro-2,3-dihydro-1H-indole-2,3-dione, 7-fluoro-1H-benzo[d]azoline-2,3-dione, 7- Fluoroisatin, ZINC02574884, PubChem1955, AC1LBOTH, ACMC-209hoh, SureCN281604, 7-FLUOROMETHYLISATIN, AC1Q4O2G, Isatin-based compound, 42

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

InChIKey: HGBGVEOXPHGSOS-UHFFFAOYSA-N

• 3-Cyanophenacyl bromide
IUPAC Name: 3-(2-bromoacetyl)benzonitrile | CAS Registry Number: 50916-55-7
Synonyms: ZINC00166819, CID2735867, 12X-0924

Molecular Formula: C9H6BrNOMolecular Weight: 224.054040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XWCGNFLHRINYCE-UHFFFAOYSA-N

• (r)-(-)-5-(hydroxymethyl)-2-pyrrolidinone
IUPAC Name: (5R)-5-(hydroxymethyl)pyrrolidin-2-one | CAS Registry Number: 66673-40-3
Synonyms: D-Pyroglutaminol, 366358_ALDRICH, ZINC04202342, (R)-(−)-5-(Hydroxymethyl)-2-pyrrolidinone

Molecular Formula: C5H9NO2Molecular Weight: 115.130460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HOBJEFOCIRXQKH-SCSAIBSYSA-N

• 4-Carboxyphenylboronic Acid
IUPAC Name: 4-boronobenzoic acid | CAS Registry Number: 14047-29-1
Synonyms: 4-Boronobenzoic acid, 4-Carboxyphenylboronic acid, WLN: VHOR DBQQ, Benzoic acid, p-borono-, Benzoic acid, 4-borono-, p-Carboxyphenylboronic acid, 4-(Dihydroxyboryl)benzoic acid, 456772_ALDRICH, Benzeneboronic acid, p-carboxy-, BM052, ALBB-006102, NSC221170, SBB003899, DB03140, NCGC00092012-01, TL8000905, AF-399/25108028, 4CB

Molecular Formula: C7H7BO4Molecular Weight: 165.939080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: SIAVMDKGVRXFAX-UHFFFAOYSA-N

• 4-chloro-3-fluorobenzaldehyde
IUPAC Name: 4-chloro-3-fluorobenzaldehyde | CAS Registry Number: 5527-95-7
Synonyms: 4-Chloro-3-Fluorobenzaldehyde, 537241_ALDRICH, ZINC02512519, JRD-0313, SBB003986, CID2724985, TL8003607

Molecular Formula: C7H4ClFOMolecular Weight: 158.557463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AZMDWRPTDCIFRD-UHFFFAOYSA-N

• 2-Thiazolecarboxaldehyde
IUPAC Name: 1,3-thiazole-2-carbaldehyde | CAS Registry Number: 10200-59-6
Synonyms: 2-Formylthiazole, 2-KETOTHIAZOLE, 1,3-thiazole-2-carbaldehyde, 422460_ALDRICH, ZINC02512364, CID2734903, CC 09504, TL8000109, InChI=1/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3, KTH

Molecular Formula: C4H3NOSMolecular Weight: 113.137720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZGTFNNUASMWGTM-UHFFFAOYSA-N

• 5-Pyridin-2-ylthiophene-2-carbaldehyde
IUPAC Name: 5-pyridin-2-ylthiophene-2-carbaldehyde | CAS Registry Number: 132706-12-8
Synonyms: 5-(pyridin-2-yl)thiophene-2-carbaldehyde, 5-pyridin-2-ylthiophene-2-carbaldehyde, SBB052261, AG-D-66501, 2-Thiophenecarboxaldehyde,5-(2-pyridinyl)-, ZINC00158558, AC1LCQWV, PubChem16361, AC1Q6PUR, ACMC-1C1GM, CTK4B8062, MolPort-000-142-228, AKOS004113159, 5-(2-pyridyl)thiophene-2-carbaldehyde, RP03661, 5-(2-Pyridinyl)-2-thiophenecarbaldehyde, AK-57907, KB-44080, 5-(2-pyridinyl)-2-thiophenecarboxaldehyde, 5-(Pyridin-2-yl)thiophene-2-carboxaldehyde

Molecular Formula: C10H7NOSMolecular Weight: 189.233680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VAGVVFZWHTULBM-UHFFFAOYSA-N

• 3-Cyanobenzyl bromide
IUPAC Name: 3-(bromomethyl)benzonitrile | CAS Registry Number: 28188-41-2
Synonyms: m-Cyanobenzyl bromide, alpha-Bromo-m-tolunitrile, 3-(Bromomethyl)benzonitrile, Benzonitrile, 3-(bromomethyl)-, m-(Bromomethyl)benzonitrile, m-Tolunitrile, .alpha.-bromo-, 3-Bromomethyl-benzonitrile, alpha-Bromo-m-toluonitrile, m-Cyano-alpha-bromotoluene, .alpha.-Bromo-m-tolunitrile, m-Cyano-.alpha.-bromotoluene, 145610_ALDRICH, EINECS 248-890-1, m-Tolunitrile, alpha-bromo- (8CI), NSC108298, SBB007997, ZINC01700477, NSC 108298, FS000810, TL8002243

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

InChIKey: CVKOOKPNCVYHNY-UHFFFAOYSA-N

• 2-Amino-6-Chloropurine
IUPAC Name: 6-chloro-7H-purin-2-amine | CAS Registry Number: 10310-21-1
Synonyms: 6-Chloroguanine, 2-Amino-6-chloropurine, 2-Amino-6-chlorpurine, 6-Chloro-2-aminopurine, Purine, 2-amino-6-chloro-, 1H-Purin-2-amine, 6-chloro-, 6-Chloro-7H-purin-2-ylamine, 109789_ALDRICH, 342300_ALDRICH, EINECS 233-686-7, 6-CHLORO-1H-PURIN-2-AMINE, NSC 29570, AIDS024269, AIDS-024269, NSC29570, SBB003863, ZINC03860888, 1H-Purin-2-amine, 6-chloro- (9CI), LS-126471, C-4110

Molecular Formula: C5H4ClN5Molecular Weight: 169.571760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N

• 2,4-Dichloropyrimidine
IUPAC Name: 2,4-dichloropyrimidine | CAS Registry Number: 3934-20-1
Synonyms: Pyrimidine, 2,4-dichloro-, nchembio826-comp5, 2,6-Dichloropyrimidine, 143847_ALDRICH, AIDS167215, AIDS-167215, ALBB-006256, NSC20212, NSC37531, NSC49119, EINECS 223-508-6, NSC 20212, NSC 37531, NSC 49119, ZINC01571020, D2489G5, AI3-26561, TL8002842, T5421466, InChI=1/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2

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

InChIKey: BTTNYQZNBZNDOR-UHFFFAOYSA-N

• 4-Methoxybenzonitrile
IUPAC Name: 4-methoxybenzonitrile | CAS Registry Number: 874-90-8
Synonyms: p-Anisonitrile, p-Anisylnitrile, p-Cyanoanisole, 4-Cyanoanisole, Anisonitrile, p-Methoxybenzonitrile, Benzonitrile, 4-methoxy-, p-Methoxyphenyl cyanide, ANISYL CYANIDE, p-Anisonitrile (8CI), 1-methoxy-4-cyano-benzene, NCIOpen2_000576, 132470_ALDRICH, NSC3777, CID70129, NSC 3777, NSC71539, EINECS 212-871-6, NSC 71539, ZINC00159092

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XDJAAZYHCCRJOK-UHFFFAOYSA-N

• 6-Amino-1,3-DimethylUracil
IUPAC Name: 6-amino-1,3-dimethylpyrimidine-2,4-dione | CAS Registry Number: 6642-31-5
Synonyms: 6-Amino-1,3-dimethyluracil, 1,3-Dimethyl-6-amino-uracil, Uracil, 6-amino-1,3-dimethyl-, Oprea1_258982, A52153_ALDRICH, EINECS 229-662-0, NSC 15492, NSC15492, BRN 0144390, SBB004028, ZINC00105224, AI3-52449, LS-158544, 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-, 4-Amino-1,3-dimethyl-2,6-dihydroxypyrimidine, 6-Amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione, 5-25-15-00389 (Beilstein Handbook Reference), AB-323/25048015, 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Molecular Formula: C6H9N3O2Molecular Weight: 155.154560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VFGRNTYELNYSKJ-UHFFFAOYSA-N

• (R)-1-tert-Butoxycarbonylpyrrolidine-3-methanol
IUPAC Name: tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 138108-72-2
Synonyms: (R)-1-Boc-3-Hydroxymethylpyrrolidine, (R)-tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate, (R)-1-Boc-3-(hydroxymethyl)pyrrolidine, (R)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Boc-3-hydroxymethyl-pyrrolidine, AG-D-77142, (R)-1-Boc-3-hydroxymethyl-pyrrolidine, tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate, (R)-3-Hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3R)-, AC1LTTCF, PubChem11122, SureCN514696, N-BOC-D-BETA-PROLINOL, Jsp002288, CTK4C1089, MolPort-000-004-261, WT968, ACT08452, AC-867

Molecular Formula: C10H19NO3Molecular Weight: 201.262760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HKIGXXRMJFUUKV-MRVPVSSYSA-N

• 4-Bromo-3,5-Difluorophenol
IUPAC Name: 4-bromo-3,5-difluorophenol | CAS Registry Number: 130191-91-2
Synonyms: 4-Bromo-3,5-difluorophenol, 2,6-Difluoro-4-hydroxybromobenzene, ZINC04290728, PubChem14520, AC1OGP9O, ACMC-20a41x, SureCN1575301, Jsp001832, Phenol,4-bromo-3,5-difluoro-, CTK4B6568, MolPort-001-777-931, Phenol, 4-bromo-3,5-difluoro-, ACN-S003410, 2,6-Difluoro-4-hydroxybromobenzene;, ANW-56179, PC8836, SBB094132, AKOS005254745, AC-2779, AG-D-61181

Molecular Formula: C6H3BrF2OMolecular Weight: 208.988226 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HHGOLZGZHXELSW-UHFFFAOYSA-N

• 2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole
IUPAC Name: [3-[(4-bromophenyl)methyl]-2-butyl-4-chloro-1,2-dihydroimidazol-5-yl]methanol | CAS Registry Number: 151012-31-6
Synonyms: 3-(4-BROMOBENZYL)-2-BUTYL-4-CHLORO-1H-IMIDAZOL-5-YLMETHANOL, (1-(4-bromobenzyl)-2-butyl-5-chloro-2,3-dihydro-1H-imidazol-4-yl)methanol, ACMC-1C61F, KSC497A8R, CTK3J7088, MolPort-019-903-906, ANW-65603, AKOS016005492, AK-90090, 1H-Imidazole-5-methanol,1-[(4-bromophenyl)methyl]-2-butyl-4-chloro-

Molecular Formula: C15H20BrClN2OMolecular Weight: 359.689100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DYIJKOZDPIUEEU-UHFFFAOYSA-N

• 4,5-Bis(diphenylphosphino)-9,9- dimethylxanthene
IUPAC Name: (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane | CAS Registry Number: 161265-03-8
Synonyms: Xantphos, 4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene, 9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene, Dimethylbisdiphenylphosphinoxanthene, 4,5-Bis(diphenylphospheno)-9,9-dimethyl xanthene, 4,5-bis-diphenylphosphanyl-9,9-dimethyl-9h-xanthene, 4,5-Bis(diphenylphosphino)-9,9-dimethyl-9H-xanthene, 9,9-dimethyl-4,5-bis(diphenylphosphino)-9H-xanthene, (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine), (9,9-DIMETHYL-9H-XANTHENE-4,5-DIYL)BIS(DIPHENYLPHOSPHANE), PubChem15553, ACMC-20a0ao, AC1LCRL4, KSC485M5J, 526460_ALDRICH, MolPort-003-935-880, ACN-S004427, ANW-51310, RW2263, AKOS005145677

Molecular Formula: C39H32OP2Molecular Weight: 578.618304 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CXNIUSPIQKWYAI-UHFFFAOYSA-N

• 3-Nitro-5-Trifluoromethylaniline
IUPAC Name: 3-nitro-5-(trifluoromethyl)aniline | CAS Registry Number: 401-94-5
Synonyms: 3-nitro-5-(trifluoromethyl)aniline, 3-Amino-5-nitrobenzotrifluoride, 3-amino-5-(trifluoromethyl)nitrobenzene, SBB064789, PubChem2558, PubChem2795, SureCN1894, AC1MCQF6, KSC915S5R, CTK8B5958, MolPort-000-139-970, ACT11603, ANW-51387, ZINC15440586, 3-nitro-5-trifluoromethyl-phenylamine, AKOS002663570, 3-nitro-5-(trifluoromethyl)benzenamine, 5-nitro-3-(trifluoromethyl)phenylamine, AK-35045, KB-29662

Molecular Formula: C7H5F3N2O2Molecular Weight: 206.122010 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: LTVWXWWSCLXXAT-UHFFFAOYSA-N


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