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Ningbo Pangs Chem Int'l Co., Ltd.

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Profile: Ningbo Pangs Chem Int'l Co., Ltd. is a supplier of natural plant extracts, nutritional supplements and chemical materials. Our product line includes pharmaceutical chemicals such as 4-hydroxycoumarin, 5-fluorouracil, adenine, baclofen, biapenem, captopril, dimetridazole, glimepiride, nateglinide, niflumic acid, morniflumate, chitosan and metoprolol. We offer nutritional additives such as fructose, chondroitin sulfate, melatonin, calcium caseinate, calcium citrate, calcium gluconate, ferrous lactate and potassium sorbate.

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• 2,5-Dimethylpyrazine
IUPAC Name: 2,5-dimethylpyrazine | CAS Registry Number: 123-32-0
Synonyms: Pyrazine, 2,5-dimethyl-, 2,5-DIMETHYLPYRAZINE, 2,5-Dimethylpiazine, 2,5-Dimethylparadiazine, 2,5-Dimethyl pyrazine, 2,5-Dimethyl-1,4-diazine, FEMA No. 3272, CCRIS 2929, 2,5-Dimethylpyrazine (natural), W327204_ALDRICH, PYRAZINE,2,5-DIMETHYL, 175420_ALDRICH, 41535_FLUKA, EINECS 204-618-3, WLN: T6N DNJ B1 E1, NSC 49139, NSC49139, ZINC00003182, AI3-60303, LS-2694

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LCZUOKDVTBMCMX-UHFFFAOYSA-N

• 4-Nitro-o-Toluidine
IUPAC Name: 2-methyl-4-nitroaniline | CAS Registry Number: 99-52-5
Synonyms: Diabase Red RL, Ansibases Red RL, Devol Red RL, Red Base Ciba X, Red Base Irga X, 4-Nitro-o-toluidine, Red RL Base, Devol Red Salt E, Red Base NRL, 2-Methyl-4-nitroaniline, Spectrolene Red RL, Fast Red RL Base, Fast Red Salt RL, Kako Red RL Base, p-Nitro-o-toluidine, 2-Amino-5-nitrotoluene, Daito Red Base RL, Diazo Fast Red RL, Fast Red 5NT, o-Toluidine, 4-nitro-

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XTTIQGSLJBWVIV-UHFFFAOYSA-N

• 1,2-Chloroethyl Piperidine HCl
IUPAC Name: 1-(2-chloroethyl)piperidine hydrochloride | CAS Registry Number: 2008-75-5
Synonyms: Ambap7519, C42602_ALDRICH, Piperidinoethyl chloride, hydrochloride, NSC 9995, EINECS 217-920-5, NSC9995, NSC 30790, 1-(2-Chloroethyl)piperidine hydrochloride, 1-(2-Chloroethyl)piperidinium chloride, beta-Chloroethylpiperidine hydrochloride, CID74826, NSC30790, 2-Piperidinoethylchloride hydrochloride, Piperidine, 1-(2-chloroethyl)-, hydrochloride, 2-Piperidinoethyl chloride hydrochloride, N-(beta-CHLOROETHYL)PIPERIDINE HCI, LS-114795, TL8001656

Molecular Formula: C7H15Cl2NMolecular Weight: 184.106700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VFLQQZCRHPIGJU-UHFFFAOYSA-N

• 1,3-Dimethyl-5-Pyrazolone
IUPAC Name: 2,5-dimethyl-4H-pyrazol-3-one | CAS Registry Number: 2749-59-9
Synonyms: NSC304, 1,3-Dimethyl-5-pyrazolone, 1,3-Dimethyl-5-pyrazolinone, 2-Pyrazolin-5-one, 1,3-dimethyl-, CID17673, EINECS 220-389-2, ZINC00162113, 3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-, 2,4-DIHYDRO-2,5-DIMETHYL-3H-PYRAZOL-3-ONE

Molecular Formula: C5H8N2OMolecular Weight: 112.129820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NDELSWXIAJLWOU-UHFFFAOYSA-N

• 2-(4-Bromomethyl phenyl) Propionic Acid
IUPAC Name: (2R)-2-[4-(bromomethyl)phenyl]propanoate | CAS Registry Number: 111128-12-2
Synonyms: ZINC02576953, ZINC04283572, CID7167707

Molecular Formula: C10H10BrO2-Molecular Weight: 242.089200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QQXBRVQJMKBAOZ-SSDOTTSWSA-M

• 2-Bromo-6-methoxynaphthalene
IUPAC Name: 2-bromo-6-methoxynaphthalene | CAS Registry Number: 5111-65-9
Synonyms: Naphthalene, 2-bromo-6-methoxy-, 6-Methoxy-2-bromonaphthalene, 6-Bromo-2-naphthylmethylether, NSC3236, 200174_ALDRICH, 17540_FLUKA, CID78786, NSC 3236, EINECS 225-837-0, ZINC00164677, AI3-18465, ST5308358, InChI=1/C11H9BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H

Molecular Formula: C11H9BrOMolecular Weight: 237.092560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AYFJBMBVXWNYLT-UHFFFAOYSA-N

• 2-Methyl-5-Chloro Benzothiazole
IUPAC Name: 5-chloro-2-methyl-1,3-benzothiazole | CAS Registry Number: 1006-99-1
Synonyms: 5-Chloro-2-methylbenzothiazole, USAF EK-P-4382, NSC8453, BENZOTHIAZOLE, 5-CHLORO-2-METHYL-, 545775_ALDRICH, 2-methyl-5-chloro benzothiazole, NSC 8453, EINECS 213-746-9, WLN: T56 BN DSJ C1 HG, CID13873, BRN 0120802, ZINC00294925, 5-CHLORO-2-METHYL BENZOTHIAZOLE, LS-40720, SL-02107, TL8006913, 4-27-00-01086 (Beilstein Handbook Reference), InChI=1/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XCALAYIRFYALSX-UHFFFAOYSA-N

• 2,3-Dichlorobenzeneboronic acid
IUPAC Name: (2,3-dichlorophenyl)boronic acid | CAS Registry Number: 151169-74-3
Synonyms: 2,3-Dichlorophenylboronic acid, 2,3-Dichlorobenzeneboronic Acid, (2,3-dichlorophenyl)boronic Acid, (2,3-Dichlorophenyl)Boranediol, AG-D-98033, PubChem1810, SureCN4991, ACMC-1C0UR, AC1MC1N2, KSC174K9P, 514047_ALDRICH, 2,3-dichlorophenyl boronic acid, 2,3-Dichlorophenylboronic acid,, CTK0H4597, 2,3-dichloro phenyl boronic acid, MolPort-000-931-555, AC1Q7137, ACT11128, ANW-21326, AKOS004116112

Molecular Formula: C6H5BCl2O2Molecular Weight: 190.819700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: TYIKXPOMOYDGCS-UHFFFAOYSA-N

• (R)-Tetrahydrofurfurylamine
IUPAC Name: [(2R)-oxolan-2-yl]methanamine | CAS Registry Number: 7202-43-9
Synonyms: (R)-(-)-Tetrahydrofurfurylamine, (R)-2-(Aminomethyl)tetrahydrofuran, (R)-(tetrahydrofuran-2-yl)methanamine, PubChem7001, R-Tetrahydrofurfurylamine, AC1MC0ET, SureCN226121, (R)-tetrahydrofurfurylamine, Ambcb4036792, (2R)-oxolan-2-ylmethanamine, 412937_ALDRICH, AC1Q50F4, [(2R)-oxolan-2-yl]methanamine, MolPort-001-791-947, ANW-36143, RW3007, AKOS015836399, AM81808, LS30245, RP18742

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YNOGYQAEJGADFJ-RXMQYKEDSA-N

• 1-Methyl-1H-pyrazol-3-amine
IUPAC Name: 1-methylpyrazol-3-amine | CAS Registry Number: 1904-31-0
Synonyms: 1-Methyl-3-aminopyrazole, 1-methyl-1H-pyrazol-3-amine, ZINC02565745, ALBB-004727, CID137254, STK312377, TL8001553

Molecular Formula: C4H7N3Molecular Weight: 97.118480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MOGQNVSKBCVIPW-UHFFFAOYSA-N

• (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone
IUPAC Name: 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione | CAS Registry Number: 189028-93-1
Synonyms: 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4S)-2-oxazolidinone, (S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, Ezetimibe Intermediate-5, SureCN1177723, Jsp003882, CTK4D9991, MolPort-005-940-270, ACT07247, AMX10118, ANW-44831, SC3731, ZINC21999755, AKOS015896147, AC-1649, AG-E-37893, RL02399, AK-23669, KB-51840, FT-0648270, ST51053181

Molecular Formula: C20H18FNO4Molecular Weight: 355.359623 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XXSSRSVXDNUAQX-QGZVFWFLSA-N

• 1,1'-(Azodicarbonyl)dipiperidine
IUPAC Name: (NE)-N-(piperidine-1-carbonylimino)piperidine-1-carboxamide | CAS Registry Number: 10465-81-3
Synonyms: AdDP, Azodicarboxylic dipiperidide, 255920_ALDRICH, Azodicarboxylic acid dipiperidide, 11632_FLUKA, AIDS030613, AIDS-030613, NSC356027, NSC 356027, Piperidine, 1,1'-(azodicarbonyl)bis-, SR 4077, SR-4077, Piperidine, 1,1'-[azobis(carbonyl)]bis-, Diazenedicarboxylic acid bis(N,N-piperidide), ADD

Molecular Formula: C12H20N4O2Molecular Weight: 252.312800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OQJBFFCUFALWQL-BUHFOSPRSA-N

• 1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
IUPAC Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid | CAS Registry Number: 119-17-5
Synonyms: 556890_ALDRICH, NSC50668, CID67060, NSC15354, EINECS 204-303-0, NSC 15354, 1-(3-Sulfophenyl)-3-methyl-2-pyrazolin-5-one, 1-(m-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE, TECH, Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, Benzenesulfonic acid, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (8CI), m-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 123633-48-7

Molecular Formula: C10H10N2O4SMolecular Weight: 254.262400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VEMGKBUHUTYHHA-UHFFFAOYSA-N

• 2-Cyaniminothiazolidine
IUPAC Name: 4,5-dihydro-1,3-thiazol-2-ylcyanamide | CAS Registry Number: 26364-65-8
Synonyms: 2-Cyanoimino-1,3-thiazolidine, 4,5-dihydro-1,3-thiazol-2-ylcyanamide, 2-(Cyanoimino)thiazolidine, PubChem13590, AC1MV1NH, Jsp005183, CTK8B4352, 4,5-dihydrothiazol-2-ylcyanamide, MolPort-002-887-816, (Z)-thiazolidin-2-ylidene-cyanamide, AC-287, ANW-44793, BD2289, AKOS006276470, N-(1,3-thiazolan-2-yliden)cyanamide, MCULE-4571931190, MS-3389, AK-34441, FT-0638596, M-3479

Molecular Formula: C4H5N3SMolecular Weight: 127.167600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WTUAWWLVVCGTRG-UHFFFAOYSA-N

• 4,5-Dichloro-2-octyl-3(2H)-isothiazolone
IUPAC Name: 4,5-dichloro-2-octyl-1,2-thiazol-3-one | CAS Registry Number: 64359-81-5
Synonyms: Kathon 930, Caswell No. 314B, Anti-Foulant C-9211M, Sea Nine - 211, C11H17Cl2NOS, EINECS 264-843-8, EPA Pesticide Chemical Code 128101, 4,5-Dichloro-2-octyl-2H-isothiazol-3-one, Dichloro-2-n-octyl-3(2H)-isothiazolone, LS-86323, 3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-, 4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone, 4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one

Molecular Formula: C11H17Cl2NOSMolecular Weight: 282.229780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PORQOHRXAJJKGK-UHFFFAOYSA-N

• 2-Methoxy-5-Methyl-Y-Phenyl
IUPAC Name: 3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol | CAS Registry Number: 124937-73-1
Synonyms: 3-(2-Methoxy-5-methylphenyl)-3-phenyl propanol, 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanol, 3-(2-Methoxy-5-methylphenyl)-3-phenylpropan-1-ol, ACMC-20a6fd, SureCN615095, 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-ol, Jsp001636, Jsp001640, CTK0H4365, MolPort-003-986-337, ACT04372, ANW-59255, AKOS015889798, AC-3468, AG-A-50518, AG-D-52857, AK-40881, H698, KB-177422, TL8000650

Molecular Formula: C17H20O2Molecular Weight: 256.339500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OCGTUTJXBDQGKL-UHFFFAOYSA-N

• 2-Indanone oxime
IUPAC Name: N-(1,3-dihydroinden-2-ylidene)hydroxylamine | CAS Registry Number: 3349-63-1
Synonyms: 2-Indanone, oxime, NCIOpen2_000087, 415472_ALDRICH, 1,3-Dihydro-2H-inden-2-one oxime, MolPort-000-882-244, 2H-Inden-2-one, 1,3-dihydro-, oxime, CID76875, NSC54456, NSC62556, EINECS 222-105-2, NSC 54456, NSC 62556, ZINC04655281, BBV-181849, C14639, I01-2658

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UJLFLOAXKVGYIA-UHFFFAOYSA-N

• 2-Amino-4,6-Dihydroxy Pyrimidine
IUPAC Name: 2-amino-4-hydroxy-1H-pyrimidin-6-one | CAS Registry Number: 56-09-7
Synonyms: 2-Amino-4,6-dihydroxypyrimidine, 2-Amino-4,6-dioxypyrimidine, 2-Amino-4,6-pyrimidinedione, 4,6-Dihydroxy-2-aminopyrimidine, 2-Amino-4,6-pyrimidinediol, A50401_ALDRICH, 2-Amino-pyrimidine-4,6-diol, ARONIS023300, EINECS 200-256-5, 4(1H)-Pyrimidinone, 2-amino-6-hydroxy-, NSC 15920, NSC15920, NSC18692, 2-Amino-6-hydroxy-1H-pyrimidin-4-one, 2-Amino-6-hydroxy-4(1H)-pyrimidinone, SBB004246, SBB004247, ZINC02015904, BAS 00293369, LS-135839

Molecular Formula: C4H5N3O2Molecular Weight: 127.101400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AUFJTVGCSJNQIF-UHFFFAOYSA-N

• 2-Chloro-6-Fluorobenzaldehyde
IUPAC Name: 2-chloro-6-fluorobenzaldehyde | CAS Registry Number: 387-45-1
Synonyms: 2-Chloro-6-fluorobenzaldehyde, Benzaldehyde, 2-chloro-6-fluoro-, 141240_ALDRICH, 24615_FLUKA, EINECS 206-860-5, ZINC00151783, CID67847, JRD-0302, TL806240, LS-184874, ST5208666, 3S210933

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

InChIKey: OACPOWYLLGHGCR-UHFFFAOYSA-N

• 2-Chlorobenzyl Cyanide
IUPAC Name: 2-(2-chlorophenyl)acetonitrile | CAS Registry Number: 2856-63-5
Synonyms: o-Chlorobenzyl cyanide, 2-Chlorobenzyl cyanide, 2-Chlorobenzeneacetonitrile, (o-Chlorophenyl)acetonitrile, (2-Chlorophenyl)acetonitrile, Benzeneacetonitrile, 2-chloro-, 188492_ALDRICH, Acetonitrile, (o-chlorophenyl)-, ALD-N036425, NSC39462, EINECS 220-669-4, NSC 39462, ZINC00406929, Benzeneacetonitrile, 2-chloro- (9CI), Acetonitrile, (o-chlorophenyl)- (8CI), InChI=1/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MRDUURPIPLIGQX-UHFFFAOYSA-N

• 2-Methyl Piperazine
IUPAC Name: 2-methylpiperazine | CAS Registry Number: 109-07-9
Synonyms: 2-Methylpiperazine, Piperazine, 2-methyl-, Ambap7423, M72404_ALDRICH, NSC5277, NSC 5277, EINECS 203-644-2, CID66057, BRN 0383566, LS-112842, TL8000293, 5-23-03-00267 (Beilstein Handbook Reference), 75364-79-3

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-UHFFFAOYSA-N

• 3,5-Dimethoxybenzoic Acid
IUPAC Name: 3,5-dimethoxybenzoic acid | CAS Registry Number: 1132-21-4
Synonyms: 3,5-DIMETHOXYBENZOIC ACID, Benzoic acid, 3,5-dimethoxy-, D132004_ALDRICH, NSC8514, AIDS018092, AIDS-018092, NSC 8514, NSC43744, EINECS 214-473-8, NSC 43744, SBB007798, AI3-52341, TL8000393, AK-968/40724491, InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IWPZKOJSYQZABD-UHFFFAOYSA-N

• 2-Acetylthianaphthene
IUPAC Name: 1-(1-benzothiophen-2-yl)ethanone | CAS Registry Number: 22720-75-8
Synonyms: 2-Acetylbenzothiophene, 2-Acetylbenzo[b]thiophene, 683477_ALDRICH, 1-(1-benzothien-2-yl)ethanone, 1-Benzo[b]thiophen-2-yl-ethanone, 1-Benzo(b)thien-2-ylethan-1-one, EINECS 245-177-7, ZINC02172307, ST5407223, TL8006903

Molecular Formula: C10H8OSMolecular Weight: 176.234920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SGSGCQGCVKWRNM-UHFFFAOYSA-N

• 3-Nitropenylboronic Acid
IUPAC Name: (3-nitrophenyl)boronic acid | CAS Registry Number: 13331-27-6
Synonyms: 3-nitrophenylboronic acid, 3-Nitrobenzeneboronic acid, m-Nitrophenylboronic acid, m-Nitrobenzeneboronic acid, Benzeneboronic acid, m-nitro-, Ambap4631, WLN: WNR CBQQ, (3-nitrophenyl)boronic acid, Boronic acid, (3-nitrophenyl)-, 325104_ALDRICH, NSC 59739, BM115, ALBB-006120, NSC59739, BRN 2938638, NSC401539, AI3-60393, DB02797, NCGC00092010-01, LS-29188

Molecular Formula: C6H6BNO4Molecular Weight: 166.927140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-N

• 3-Methylbenzo[b]thiophene
IUPAC Name: 3-methyl-1-benzothiophene | CAS Registry Number: 1455-18-1
Synonyms: 3-Methylbenzothiophene, 3-Methylthioindene, 3-Methylthianaphthene, 3-Methylbenzylthiophene, 3-Methyl-1-thiaindene, Benzothiophene, 3-methyl-, 3-Methylbenzo(b)thiophene, 3-Methyl-1-benzothiophene, Benzo[b]thiophene, 3-methyl-, 638587_ALDRICH, EINECS 215-934-6, NSC267241, ZINC01081482, NSC 267241, ST5307782, Benzo(b)thiophene, 3-methyl- (8CI)(9CI)

Molecular Formula: C9H8SMolecular Weight: 148.224820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SEBRPHZZSLCDRQ-UHFFFAOYSA-N

• 2-propyl-1H- imidazole-4,5-dicarboxy acid diethyl
IUPAC Name: diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate | CAS Registry Number: 144689-94-1
Synonyms: Diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate, 2-Propyl-1H-imidazole-4,5-dicarboxylic Acid Diethyl Ester, Diethyl 2-Propylimidazole-4,5-dicarboxylate, ST081233, 2-propyl-1H- imidazole-4,5-dicarboxy acid diethyl ester, DIETHYL-2-PROPYLIMIDAZOLE-4,5-DICARBOXYLATE, PubChem20746, ACMC-209ct8, SureCN1275935, KSC496K3F, CTK3J6532, MolPort-002-749-728, ACN-S004276, ANW-20874, STK665514, ZINC12411415, AKOS003406873, AC-3502, AG-B-62473, LS41209

Molecular Formula: C12H18N2O4Molecular Weight: 254.282320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZQPMIDPIXSMOAD-UHFFFAOYSA-N

• 2,4,5-Trifluoro-3-chlorobenzoic acid
IUPAC Name: 3-chloro-2,4,5-trifluorobenzoate | CAS Registry Number: 101513-77-3
Synonyms: ZINC02526219, CID7016347

Molecular Formula: C7HClF3O2-Molecular Weight: 209.529850 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KBESHLYCSZINAJ-UHFFFAOYSA-M

• 1,4-Butanedisulfonic Acid Disodium Salt
IUPAC Name: disodium butane-1,4-disulfonate | CAS Registry Number: 36589-61-4
Synonyms: 1,4-Butanedisulfonate, Disodium 1,4-Butanedisulfonate, NSC 240399, CID119021, 1,4-Butanedisulfonic acid, disodium salt, B0676, 1,4-Butanedisulfonic acid, sodium salt (1:2)

Molecular Formula: C4H8Na2O6S2Molecular Weight: 262.212260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: LEUIUWYZAHKPSE-UHFFFAOYSA-L

• 3-Ethoxy-1-(4-nitrophenyl)-2-pyrazolin-5-one
IUPAC Name: 5-ethoxy-2-(4-nitrophenyl)-4H-pyrazol-3-one | CAS Registry Number: 4105-90-2
Synonyms: ZINC04284424, CID77746, EINECS 223-882-0, 2-Pyrazolin-5-one, 3-ethoxy-1-(p-nitrophenyl)-, 5-Ethoxy-2,4-dihydro-2-(4-nitrophenyl)-3H-pyrazol-3-one, 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-, 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-(nitrophenyl))-

Molecular Formula: C11H11N3O4Molecular Weight: 249.222740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XWXGLGWXBJDMPT-UHFFFAOYSA-N

• 1-Bromobutane
IUPAC Name: 1-bromobutane | CAS Registry Number: 109-65-9
Synonyms: Butyl bromide, Butane, 1-bromo-, n-Butylbromide, Bromobutane, N-BUTYL BROMIDE, 1-Butyl bromide, Butane, bromo-, sJPHAbIJuP@, 1-BROMO-BUTANE, CCRIS 831, HSDB 2195, 08953_FLUKA, 19681_FLUKA, B59497_SIAL, EINECS 203-691-9, UN1126, AI3-15308, LS-45622, TL8000306, 1-Bromobutane [UN1126] [Flammable liquid]

Molecular Formula: C4H9BrMolecular Weight: 137.018260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

• 2,4-Dichlorobenzotrifluoride
IUPAC Name: 1,4-dichloro-2-(trifluoromethyl)benzene | CAS Registry Number: 320-60-5
Synonyms: 2,5-Dichlorobenzotrifluoride, 246069_ALDRICH, NSC60712, EINECS 206-276-0, Benzene, 1,4-dichloro-2-(trifluoromethyl)-, CID35360, 1,4-Dichloro-2-(trifluoromethyl)benzene, LS-29823, ST5405472, 2,5-Dichloro-alpha,alpha,alpha-trifluorotoluene, Toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro- (6CI,7CI,8CI), 320-50-3

Molecular Formula: C7H3Cl2F3Molecular Weight: 214.999930 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYBYUWVMLBBEMA-UHFFFAOYSA-N

• 2,6-Difluorobenzamide
IUPAC Name: 2,6-difluorobenzamide | CAS Registry Number: 18063-03-1
Synonyms: Benzamide, 2,6-difluoro-, Ambap1714, 282278_ALDRICH, EINECS 241-972-8, ZINC00152949, CID87439, JRD-0429, LS-26492, TL8001442, InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N

• 2-Amino-4,5-Dimethoxy-Benzoic Acid
IUPAC Name: 2-amino-4,5-dimethoxybenzoic acid | CAS Registry Number: 5653-40-7
Synonyms: 6-Aminoveratric acid, 2-Amino-4,5-dimethoxybenzoic acid, 4,5-Dimethoxyanthranilic acid, 252042_ALDRICH, EINECS 227-095-3, SBB007800, FR-0358, Benzoic acid, 2-amino-4,5-dimethoxy-, TL8003658, InChI=1/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12

Molecular Formula: C9H11NO4Molecular Weight: 197.187940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HJVAVGOPTDJYOJ-UHFFFAOYSA-N

• 2-Amino-5-Nitrothiazole
IUPAC Name: 5-nitro-1,3-thiazol-2-amine | CAS Registry Number: 121-66-4
Synonyms: Entramin, Enheptin, Enheptin-T, Amnizol soluble, Nitramin IDO, Aminonitrothiazole, Aminzol soluble, Enheptin premix, Enheptin T, Enheptyne, Nitromin ido, Enheptin (VAN), 2-AMINO-5-NITROTHIAZOLE, Aminonitrothiazolum, 2-Thiazolamine, 5-nitro-, Thiazole, 2-amino-5-nitro-, 5-Nitro-2-thiazolylamine, 5-Nitro-2-thiazolamine, 5-Nitro-2-aminothiazole, NSC4

Molecular Formula: C3H3N3O2SMolecular Weight: 145.139820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIHADVKEHAFNPG-UHFFFAOYSA-N

• 2-Thiouracil
IUPAC Name: 2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 141-90-2
Synonyms: 2-thiouracil, Antagothyroid, Thiouracil, Antagothyroil, Deracil, Nobilen, 6-Thiouracil, Uracil, 2-thio-, Tiouracyl [Polish], 2-Mercapto-4-pyrimidone, 2-Thiouracil (VAN), 2-Mercapto-4-pyrimidinol, 2-Thio-4-oxypyrimidine, 2-Thio-6-oxypyrimidine, 4-Hydroxy-2-pyrimidinethiol, 4-Hydroxy-2-mercaptopyrimidine, Ambap4491, Spectrum_001652, 4-Pyrimidinol, 2-mercapto-, SpecPlus_000746

Molecular Formula: C4H4N2OSMolecular Weight: 128.152360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: ZEMGGZBWXRYJHK-UHFFFAOYSA-N

• 2-Mercaptan Benzamidazole
IUPAC Name: 1,3-dihydrobenzimidazole-2-thione | CAS Registry Number: 583-39-1
Synonyms: Antiegene MB, 2-Mercaptobenzimidazole, 2-Benzimidazolethiol, Antioxidant MB, Antigene MB, Antigen MB, o-Phenylenethiourea, Benzimidazolethiol, Permanax 21, 2-Thiobenzimidazole, Mercaptobenzimidazole, Mercaptobenzoimidazole, Anitiegene MB, AOMB, 2-Thiol benzimidazole, 2-Benzimidazolinethione, ASM MB, Merkaptobenzimidazol, 1H-Benzimidazole-2-thiol, Benzimidazole-2-thiol

Molecular Formula: C7H6N2SMolecular Weight: 150.200940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: YHMYGUUIMTVXNW-UHFFFAOYSA-N

• 2-Methylfuran
IUPAC Name: 2-methylfuran | CAS Registry Number: 534-22-5
Synonyms: Methylfuran, Sylvan, Furan, 2-methyl-, 2-METHYLFURAN, 5-Methylfuran, Silvan, 2-Methyl furan, alpha-Methylfuran, .alpha.-Methylfuran, Methyl furan, Silvan [Czech], Furan, methyl-, 2-METHYL-FURAN, CCRIS 2920, WLN: T5OJ B1, M46845_ALDRICH, W417901_ALDRICH, NSC 3707, EINECS 208-594-5, NSC3707

Molecular Formula: C5H6OMolecular Weight: 82.100540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VQKFNUFAXTZWDK-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzaldehyde
IUPAC Name: 3,4,5-trimethoxybenzaldehyde | CAS Registry Number: 86-81-7
Synonyms: 3,4,5-TRIMETHOXYBENZALDEHYDE, Benzaldehyde, 3,4,5-trimethoxy-, T68403_ALDRICH, 92140_FLUKA, EINECS 201-701-6, BENZALDEHYDE,3,4,5-TRIMETHOXY-, NSC 16692, AIDS017928, AIDS-017928, NSC16692, BRN 0395163, SBB016338, ZINC02504375, AI3-36673, LS-25170, TL8005630, 4-08-00-02719 (Beilstein Handbook Reference), InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OPHQOIGEOHXOGX-UHFFFAOYSA-N

• 3-Hexyn-2-ol
IUPAC Name: hex-3-yn-2-ol | CAS Registry Number: 109-50-2
Synonyms: 3-HEXYN-2-OL, 669296_ALDRICH, EINECS 203-676-7, TL8002343

Molecular Formula: C6H10OMolecular Weight: 98.143000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IFCAMPHNVKBSTF-UHFFFAOYSA-N

• (4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
IUPAC Name: tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate | CAS Registry Number: 125971-94-0
Synonyms: 539015_ALDRICH, ZINC04284040, ST5405960, TL8000705, tert-Butyl (4R,3R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,Cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

Molecular Formula: C14H23NO4Molecular Weight: 269.336720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DPNRMEJBKMQHMC-GHMZBOCLSA-N

• 2,4-Difluoromandelic acid
IUPAC Name: 2-(2,4-difluorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 132741-30-1
Synonyms: CID588651, (2,4-Difluorophenyl)(hydroxy)acetic acid, ST5408082, TL8005319, D1076

Molecular Formula: C8H6F2O3Molecular Weight: 188.128246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RRRQFGNNRJHLNV-UHFFFAOYSA-N

• 3-Cyclopentylpropanoic acid
IUPAC Name: 3-cyclopentylpropanoic acid | CAS Registry Number: 140-77-2
Synonyms: Cyclopentanepropanoic acid, Cyclopentanepropionic acid, Cyclopentylpropionic acid, 3-Cyclopentylpropionic acid, Propionic acid, 3-cyclopentyl-, C115908_ALDRICH, CYCLOPENTYLPROPRIONIC ACID, Cyclopentanepropionic acid (8CI), NSC8771, NSC 8771, EINECS 205-433-0, NCGC00166228-01, AI3-14247, ST5213947

Molecular Formula: C8H14O2Molecular Weight: 142.195560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZRPLANDPDWYOMZ-UHFFFAOYSA-N

• 2-Carboxyphenylboronic acid
IUPAC Name: 2-boronobenzoic acid | CAS Registry Number: 149105-19-1
Synonyms: 2-boronobenzoic acid, BM403, ALBB-006115, ST5408296, TL8001070

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

InChIKey: KWNPRVWFJOSGMZ-UHFFFAOYSA-N

• 3-Amino-4-hydroxybenzoic acid
IUPAC Name: 3-amino-4-hydroxybenzoic acid | CAS Registry Number: 1571-72-8
Synonyms: Oprea1_298249, Benzoic acid, 3-amino-4-hydroxy-, 289647_ALDRICH, 3,4-AHBA, NSC700601, AIDS020062, AIDS-020062, EINECS 216-390-2, SBB006740, NSC 700601, C12115, InChI=1/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MRBKRZAPGUCWOS-UHFFFAOYSA-N

• 3-Methoxy-1-propanol
IUPAC Name: 3-methoxypropan-1-ol | CAS Registry Number: 1589-49-7
Synonyms: beta-PGME, 3-METHOXY-1-PROPANOL, Propanol, methoxy-, 1-Propanol, 3-methoxy-, HOCH2CH2CH2OCH3, Trimethylene glycol monomethyl ether, 38457_FLUKA, Propylene glycol monomethyl ether, beta, BRN 1731204, ZINC01995287, LS-122443, TL8001203, 4-01-00-02494 (Beilstein Handbook Reference)

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JDFDHBSESGTDAL-UHFFFAOYSA-N

• 3-Aminophthalimide
IUPAC Name: 4-aminoisoindole-1,3-dione | CAS Registry Number: 2518-24-3
Synonyms: Oprea1_344852, ghl.PD_Mitscher_leg0.1319, 524794_ALDRICH, AIDS020245, BB_SC-3154, AIDS-020245, CID72914, NSC42092, ZINC00066148, 1H-Isoindole-1,3(2H)-dione, 4-amino-

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GQBONCZDJQXPLV-UHFFFAOYSA-N

• 2-Furoic acid hydrazide
IUPAC Name: furan-2-carbohydrazide | CAS Registry Number: 3326-71-4
Synonyms: Furoylhydrazide, 2-Furoylhydrazide, 2-Furohydrazide, 2-Furoic hydrazide, Furoic acid, hydrazide, 2-Furoylhydrazine, 2-Furancarbohydrazide, 2-Furylcarbonylhydrazide, 2-Furancarbohydrazonic acid, Pyromucic acid hydrazide, 2-Furancarbonyl hydrazide, WLN: T5OJ BVMZ, 2-FUROIC ACID, HYDRAZIDE, 2-Furylcarboxylic acid hydrazide, 2-Furancarboxylic acid, hydrazide, 130443_ALDRICH, ARONIS005822, NSC11957, EINECS 222-046-2, NSC 11957

Molecular Formula: C5H6N2O2Molecular Weight: 126.113340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SKTSVWWOAIAIKI-UHFFFAOYSA-N

• 1-(4-Chlorophenyl)piperazine
IUPAC Name: 1-(4-chlorophenyl)piperazine | CAS Registry Number: 38212-33-8
Synonyms: Maybridge4_000001, NCIOpen2_003642, Piperazine, 1-(4-chlorophenyl)-, 1-(para-Chlorophenyl)piperazine, 73659_FLUKA, ALBB-006020, NSC126708, SBB003580, NSC 126708, IDI1_030583, TL8002797

Molecular Formula: C10H13ClN2Molecular Weight: 196.676620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UNEIHNMKASENIG-UHFFFAOYSA-N

• 4,6-Dichloro-5-methoxypyrimidine
IUPAC Name: 4,6-dichloro-5-methoxypyrimidine | CAS Registry Number: 5018-38-2
Synonyms: EINECS 225-699-1, NSC252184, Pyrimidine, 4,6-dichloro-5-methoxy-, TL8003327

Molecular Formula: C5H4Cl2N2OMolecular Weight: 179.004060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJQIGKLDBGKSNT-UHFFFAOYSA-N

• 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid hydrochloride
IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate | CAS Registry Number: 5162-90-3
Synonyms: ZINC02593882

Molecular Formula: C14H13BrO3Molecular Weight: 309.155220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IQSOPPTZTJSPFM-MQQKCMAXSA-N


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