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Shanghai Zealing Chemical Co., Ltd.

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Profile: Shanghai Zealing Chemical Co., Ltd. is engaged in advanced chemical intermediates for the pharmaceutical/biotech industry, either by custom synthesis or by contract.

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• 3-(5-Nitro-2-furyl)acrylic acid
IUPAC Name: (E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid | CAS Registry Number: 6281-23-8
Synonyms: Nitrofurylacrylamide, Nitrofurylacrylic acid, 5-Nfa, 5-Nitrofurylacrylic acid, Acidum nitrofurylacrylicum, 5-Nitro-2-furfurylnitrate, 5-Nitro-2-furanacrylic acid, sodium S-nitrofurylacrylate, 5-Nitro-2-furyl acrylic acid, CCRIS 5633, 5-nitro-2-furylacrylic acid, C7H5NO5, MLS000682099, NSC6460, NSC 6460, EINECS 228-488-2, AIDS018966, 2-FURANACRYLIC ACID, 5-NITRO-, AIDS-018966, STK297803

Molecular Formula: C7H5NO5Molecular Weight: 183.118300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LWOWNIPZHGWKNR-DUXPYHPUSA-N

• 2-Chloroisonicotinic acid
IUPAC Name: 2-chloropyridine-4-carboxylic acid | CAS Registry Number: 6313-54-8
Synonyms: ChemDiv3_010158, 2-Chloro-isonicotinic acid, MLS000586447, 543918_ALDRICH, 2-Chloro-4-pyridinecarboxylic acid, 2-Chloropyridine-4-carboxylic acid, NSC40139, SBB004003, IDI1_028068, FS000571, SMR000207826, TL806121, AN-584/40173345

Molecular Formula: C6H4ClNO2Molecular Weight: 157.554460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QXCOHSRHFCHCHN-UHFFFAOYSA-N

• 4-Bromo-3-nitrobenzoic acid
IUPAC Name: 4-bromo-3-nitrobenzoic acid | CAS Registry Number: 6319-40-0
Synonyms: Benzoic acid, 4-bromo-3-nitro-, 4-Bromo-3-nitro-benzoic acid, Benzoic acid, 4-bromo-3-nitro, NSC31041, ST5136094

Molecular Formula: C7H4BrNO4Molecular Weight: 246.014960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RVCTZJVBWNFYRU-UHFFFAOYSA-N

• 3-Amino-4-hydroxypyridine
IUPAC Name: 3-amino-1H-pyridin-4-one | CAS Registry Number: 6320-39-4
Synonyms: 3-amino-4-pyridinol, BB_SC-4743, NSC31886, ZINC00330835, TL8004392, AC-907/25004436

Molecular Formula: C5H6N2OMolecular Weight: 110.113940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OIIBRAGQGFLUFI-UHFFFAOYSA-N

• 1,3-Benzothiazole-2-carbaldehyde
IUPAC Name: 1,3-benzothiazole-2-carbaldehyde | CAS Registry Number: 6639-57-2
Synonyms: Benzothiazole-2-carbaldehyde, 2-Benzothiazolecarboxaldehyde, NSC49210, AIDS124745, AIDS-124745, NSC 49210, ZINC00158622, CC 06004

Molecular Formula: C8H5NOSMolecular Weight: 163.196400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RHKPJTFLRQNNGJ-UHFFFAOYSA-N

• 4-Formyldiphenyl ether
IUPAC Name: 4-(phenoxy)benzaldehyde | CAS Registry Number: 67-36-7
Synonyms: 4-Phenoxybenzaldehyde, p-Phenoxybenzaldehyde, Benzaldehyde, p-phenoxy-, 4-(phenyloxy)benzaldehyde, Benzaldehyde, 4-phenoxy-, 211265_ALDRICH, 77702_FLUKA, EINECS 200-650-7, Benzaldehyde, 4-phenoxy- (9CI), 4PBL-0-0, BRN 1947841, ZINC02015903, AI3-62192, LS-25139, 4-08-00-00257 (Beilstein Handbook Reference)

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QWLHJVDRPZNVBS-UHFFFAOYSA-N

• 3-Chloro-1,2,4-triazole
IUPAC Name: 5-chloro-1H-1,2,4-triazole | CAS Registry Number: 6818-99-1
Synonyms: 3-Chloro-s-triazole, s-Triazole, 3-chloro-, 3-Chloro-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-chloro-, EINECS 229-892-1, NSC153381, ZINC03882494, ZINC04502083, ZINC05380440, MS-2906, NSC 153381, s-Triazole, 3-chloro- (VAN) (8CI), AG-670/31549022, T0503-8187, 15182-43-1

Molecular Formula: C2H2ClN3Molecular Weight: 103.510380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QGOUKZPSCTVYLX-UHFFFAOYSA-N

• 5-Bromo-2-Methylbenzenesulfonyl Chloride
IUPAC Name: 5-bromo-2-methylbenzenesulfonyl chloride | CAS Registry Number: 69321-56-8
Synonyms: 5-bromo-2-methylbenzenesulfonyl chloride, 5-bromo-2-methylbenzene-1-sulfonyl chloride, SBB055020, zlchem 1049, PubChem20279, AC1NLQ7P, AC1Q2EBV, ACMC-209o78, CTK2F2607, ZLD0515, MolPort-002-468-756, 4-Bromo-2-(chlorosulphonyl)toluene, ANW-35634, (5-bromo-2-methylphenyl)chlorosulfone, AKOS000118447, 5-bromo-2-methylbenzenesulfonylchloride, AG-C-06077, AG-G-69534, 5-Bromo-2-methylbenzenesulphonyl chloride, AK-90946

Molecular Formula: C7H6BrClO2SMolecular Weight: 269.543340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OYSAFEFFWRNQJF-UHFFFAOYSA-N

• (1S,4R)-4-(2-Amino-6-Chloro-9H-Purin-Yl)-2-Cyclopentene-1-Methanol,HCl
IUPAC Name: [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol;hydrochloride | CAS Registry Number: 172015-79-1
Synonyms: (1S,4R)-4-(2-Amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol Hydrochloride, zlchem 793, CTK8E2599, ZLD0252, AK141463, V2106, ((1S,4R)-4-(2-Amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl)methanol hydrochloride, (1S-4R)-4-(2-Amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol hydrochloride, (1S-cis)-4-(2-Amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol Monohydrochloride

Molecular Formula: C11H13Cl2N5OMolecular Weight: 302.159820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: VZJFPECAPXUELG-HHQFNNIRSA-N

• 5-Fluoro-2-Oxo-Indole (CAS: 5641-41-4)
• 7-Bromo-4-chromanone
IUPAC Name: 7-bromo-2,3-dihydrochromen-4-one | CAS Registry Number: 18442-22-3
Synonyms: 7-Bromochroman-4-one, 7-BROMO-4-CHROMANONE, AG-E-33960, 7-bromo-2,3-dihydro-4H-chromen-4-one, 7-bromo-2,3-dihydro-1-benzopyran-4-one, 7-bromo-3,4-dihydro-2H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one,7-bromo-2,3-dihydro-, zlchem 1232, PubChem17926, 7-Bromo-4-chromanone;, SureCN2066249, CTK4D8736, ZLE0007, ANW-50622, SBB068500, WTI-11864, ZINC38540761, 7-bromanyl-2,3-dihydrochromen-4-one, AKOS015835864, HC11047

Molecular Formula: C9H7BrO2Molecular Weight: 227.054680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DMEAYYYHWLCPCD-UHFFFAOYSA-N

• 2-Bromo-6-methoxypyrimidine
IUPAC Name: 2-bromo-4-methoxypyrimidine | CAS Registry Number: 944709-74-4
Synonyms: 2-bromo-4-methoxypyrimidine, 2-BROMO-4-METHOXY-PYRIMIDINE, zlchem 739, 2-Bromo-4(6)-methoxypyrimidine, CTK8B5992, ZLD0196, MolPort-000-139-689, ANW-51794, ZINC15021690, AKOS005255147, MB07472, RP24854, AK-27677, BR-27677, KB-116578, AM20120368, FT-0649623, W9686, A19343

Molecular Formula: C5H5BrN2OMolecular Weight: 189.010000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OHOBULDCIMBMDH-UHFFFAOYSA-N

• 3,5-Dimethoxybenzoic Acid Methyl Ester
IUPAC Name: methyl 3,5-dimethoxybenzoate | CAS Registry Number: 2150-37-0
Synonyms: Methyl 3,5-dimethoxybenzoate, NCIOpen2_000069, 168793_ALDRICH, NSC65605, EINECS 218-423-6, ZINC00388430, Benzoic acid, 3,5-dimethoxy-, methyl ester, 3,5-Dimethoxybenzoic acid methyl ester, ST5308636, InChI=1/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H

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

InChIKey: YXUIOVUOFQKWDM-UHFFFAOYSA-N

• 3-Butyn-1-Ol
IUPAC Name: but-3-yn-1-ol | CAS Registry Number: 927-74-2
Synonyms: 3-Butynol, 1-Butyn-4-ol, 3-Butynyl alcohol, 3-BUTYN-1-OL, 3-Butyne-1-ol, But-3-yn-1-ol, 4-Hydroxy-1-butyne, 2-Hydroxyethylacetylene, Ambap7322, WLN: Q3UU1, 130850_ALDRICH, NSC 9708, 19195_FLUKA, EINECS 213-161-9, NSC9708, BRN 0773710, ZINC01700120, AI3-25453, LS-47484, C06146

Molecular Formula: C4H6OMolecular Weight: 70.089840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OTJZCIYGRUNXTP-UHFFFAOYSA-N

• 3-Bromo-Furan-2-Carbaldehyde
IUPAC Name: 3-bromofuran-2-carbaldehyde | CAS Registry Number: 14757-78-9
Synonyms: 3-bromofuran-2-carbaldehyde, 3-BROMO-2-FORMYLFURAN, 3-Bromo-furan-2-carbaldehyde, 3-bromo-2-furancarboxaldehyde, 3-Bromofuran-2-carboxaldehyde, SBB067497, AG-D-92694, zlchem 750, PubChem7803, AC1MOD88, 3-bromanylfuran-2-carbaldehyde, 3-BROMO-2-FURALDEHYDE, 2-Furancarboxaldehyde,3-bromo-, CTK4C5465, ZLD0207, MolPort-000-141-158, ANW-57688, ZINC04208980, AKOS010079810, AB31934

Molecular Formula: C5H3BrO2Molecular Weight: 174.980120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KSAVZSUPQGDMRC-UHFFFAOYSA-N

• 3,5-Dibromo-2-Methylthiophene
IUPAC Name: 3,5-dibromo-2-methylthiophene | CAS Registry Number: 29421-73-6
Synonyms: 3,5-Dibromo-2-methylthiophene, EINECS 249-617-9, MolPort-001-758-399, CID122373, ZINC06069002, OR13720

Molecular Formula: C5H4Br2SMolecular Weight: 255.958260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OGAJGUIMFMRGRB-UHFFFAOYSA-N

• 4-Bromo-[1,2]Oxathiolane 2,2-Dioxide
IUPAC Name: 4-bromooxathiolane 2,2-dioxide | CAS Registry Number: 189756-89-6
Synonyms: 4-Bromo-[1,2]oxathiolane 2,2-dioxide, 4-Bromo-2,2-dioxide -1,2-Oxathiolane, 4-bromooxathiolane 2,2-dioxide, zlchem 593, CTK4E0209, ZLD0040, MolPort-000-001-788, ACT06007, SBB070770, AKOS015919441, AG-E-38540, 4-Bromo-1,2-oxathiolane 2,2-dioxide, 4-bromanyl-1,2-oxathiolane 2,2-dioxide, AK-46335, KB-36743, 1,2-Oxathiolane,4-bromo-, 2,2-dioxide, FT-0654696, A813356, S09-0078

Molecular Formula: C3H5BrO3SMolecular Weight: 201.039000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QWGFMEUQQADOOD-UHFFFAOYSA-N

• 2-(1-Hydroxyethyl)benzimidazole
IUPAC Name: 1-(1H-benzimidazol-2-yl)ethanol | CAS Registry Number: 19018-24-7
Synonyms: 1-(2-Benzimidazolyl)ethanol, Maybridge1_003141, Ethanol, 1-(2-benzimidazolyl)-, 1-(1H-Benzimidazol-2-yl)ethanol, OWH-BC-1561, TOS-BB-1222, 2-(alpha-Hydroxyethyl)-benzimidazole, BB_SC-2123, ALBB-005255, 1-(1H-Benzoimidazol-2-yl)-ethanol, CID205922, STK156754, ZINC00141114, SDCCGMLS-0064699.P001, BAS 00619145, LS-66458, SR-01000391067-2

Molecular Formula: C9H10N2OMolecular Weight: 162.188500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XZHWEHOSQYNGOL-UHFFFAOYSA-N

• 1-Bromo-1-Butene
IUPAC Name: (E)-1-bromobut-1-ene | CAS Registry Number: 31844-98-1
Synonyms: 1-Bromobut-1-ene, 1-Butene, 1-bromo-, trans-1-Bromo-1-butene, 1-BROMO-1-BUTENE, 1-Bromo-1-butene (cis-trans), 1-Butene, 1-bromo-, (E)-, 1-Butene, 1-bromo-, (Z)-, EINECS 250-836-7, CID5364400, S14-0854, 32620-08-9

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

InChIKey: IUXHPSPHPKXTPA-ONEGZZNKSA-N

• 3-Bromo-2,5-Dichlorothiophene
IUPAC Name: 3-bromo-2,5-dichlorothiophene | CAS Registry Number: 60404-18-4
Synonyms: 3-Bromo-2,5-dichlorothiophene, ZINC02168545, CID521925, CD09413

Molecular Formula: C4HBrCl2SMolecular Weight: 231.925740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PBUHOXBSIQJRNO-UHFFFAOYSA-N

• 6-Bromoindazole
IUPAC Name: 6-bromo-1H-indazole | CAS Registry Number: 79762-54-2
Synonyms: 6-bromo-1H-indazole, AG-H-19731, 6- Bromoindazole, PubChem7831, zlchem 1237, SureCN5902, 6-bromanyl-1H-indazole, 6-Bromo-1H-indazole,, 6-Bromo-1H-indazole;, 1H-Indazole, 6-bromo-, ACMC-209pi5, BROMOINDAZOLE(6-), AGN-PC-01MHI9, INDAZOLE, 6-BROMO-, KSC376S4P, 1H-INDAZOLE,6-BROMO-, AC1Q251Y, CHEMBL247365, CTK2H6947, ZLE0012

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WMKDUJVLNZANRN-UHFFFAOYSA-N

• 5-Methoxy-3-bromopyridine
IUPAC Name: 3-bromo-5-methoxypyridine | CAS Registry Number: 50720-12-2
Synonyms: Ambad280, 3-Bromo-5-methoxypyridine, 631817_ALDRICH, 5-bromopyridin-3-yl methyl ether, ZINC00330883, CID817163, TL8002554, AC-907/25004516

Molecular Formula: C6H6BrNOMolecular Weight: 188.021940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FZWUIWQMJFAWJW-UHFFFAOYSA-N

• 1,1'-Bis(diphenylphosphino)ferrocene]dichloropalladium(II) (CAS: 72287-26-4)
• 1-Methyl-1H-pyrazole-4-carboxylic acid
IUPAC Name: 1-methylpyrazole-4-carboxylic acid | CAS Registry Number: 5952-92-1
Synonyms: 1-methyl-1H-pyrazole-4-carboxylic acid, 682063_ALDRICH, 1-Methyl-4-pyrazolecarboxylic acid, ALBB-000147, ZERO/008857, BAS 10145669, 1H-pyrazole-4-carboxylic acid, 1-methyl-, InChI=1/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9

Molecular Formula: C5H6N2O2Molecular Weight: 126.113340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UPPPWUOZCSMDTR-UHFFFAOYSA-N

• 5-Formyluracil
IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-carbaldehyde | CAS Registry Number: 1195-08-0
Synonyms: 414174_ALDRICH, STOCK1S-31541, 2,4(1H,3H)-Pyrimidinedione, 5-formyl-, NSC197200, NSC241524, ZINC00434270, NSC 197200, NSC 241524, LS-134710, 5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-2,4-dioxo-, 2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-2,4-dioxo- (8CI), InChI=1/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10

Molecular Formula: C5H4N2O3Molecular Weight: 140.096860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OHAMXGZMZZWRCA-UHFFFAOYSA-N

• (S)-(-)-3,3,3-Trifluoro-1,2-epoxypropane
IUPAC Name: (2S)-2-(trifluoromethyl)oxirane | CAS Registry Number: 130025-34-2
Synonyms: (2S)-2-(trifluoromethyl)oxirane, (S)-(-)-2-Trifluoromethyloxirane, (S)-3,3,3-Trifluoro-1,2-Epoxypropane, trifluoromethyloxirane, zlchem 1266, AC1OGOYC, (S)-2-Trifluoromethyl-oxirane, 665797_ALDRICH, CTK4B6482, ZLE0041, MolPort-000-006-556, PC3905, ZINC04290171, AKOS015991426, AKOS016016392, AG-D-60871, RP09616, Oxirane,2-(trifluoromethyl)-, (2S)-, BP-12580, KB-05223

Molecular Formula: C3H3F3OMolecular Weight: 112.050530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AQZRARFZZMGLHL-REOHCLBHSA-N

• 2H-Benzimidazol-2-one, 1-(2-chloroethyl)-1,3-dihydro-
IUPAC Name: 3-(2-chloroethyl)-1H-benzimidazol-2-one | CAS Registry Number: 52548-84-2
Synonyms: N-(2-Chloroethyl)-2-benzimidazolone, 1-(2-chloroethyl)-1H-benzo[d]imidazol-2(3H)-one, 1-(2-Chloroethyl)-2,3-dihydrobenzimidazol-2-one, 1-(2-chloro-ethyl)-1,3-dihydro-benzoimidazol-2-one, 1-(2-chloroethyl)-1,3-dihydro-2H-benzimidazol-2-one, zlchem 918, AC1MTPFD, SureCN961132, BEN043, CTK8C1008, ZLD0381, MolPort-003-845-817, ACT05890, ANW-65708, FD7371, SBB070761, ZINC02576385, AKOS006277827, AG-L-63668, AK-89380

Molecular Formula: C9H9ClN2OMolecular Weight: 196.633560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SFTJKCPNRHYWEO-UHFFFAOYSA-N

• 5-Amino-4-Cyano-1-(2-Hydroxyethyl)-Pyrazole
IUPAC Name: 5-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile | CAS Registry Number: 5346-53-2
Synonyms: NSC1632, ALBB-007832, CID219852, NSC114117, STK502144, ZINC00399352, 5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile, 1-[.beta.-Hydroxyethyl]-4-cyano-5-aminopyrazole, 5-AMINO-1-(2-HYDROXYETHYL)PYRAZOLE-4-CARBONITRILE

Molecular Formula: C6H8N4OMolecular Weight: 152.153920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FOZZJAVSCUBGPM-UHFFFAOYSA-N

• 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid
IUPAC Name: 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid | CAS Registry Number: 61727-33-1
Synonyms: AG-G-25252, 4-pyrimidinecarboxylic acid, 5-chloro-2-(methylthio)-, 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid, 5-chloro-2-methylthiopyrimidine-4-carboxylic acid, zlchem 91, ZERO/005155, PubChem13050, ACMC-209mvs, AC1LDUV9, AC1Q3PNW, Maybridge1_002267, AC1Q4H3C, SureCN1533879, KSC352Q5J, MLS000551292, 661244_ALDRICH, STOCK1S-27072, CTK2F2854, HMS547P01, ZLB0080

Molecular Formula: C6H5ClN2O2SMolecular Weight: 204.634100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SEPCYCDQJZTPHO-UHFFFAOYSA-N

• 3-Fluoro-4-iodoaniline
IUPAC Name: 3-fluoro-4-iodoaniline | CAS Registry Number: 656-66-6
Synonyms: 3-fluoro-4-iodophenylamine, Benzenamine, 3-fluoro-4-iodo-, SBB070632, zlchem 541, PubChem1534, ACMC-1B9HQ, SureCN239924, 3-Fluoro-4-iodo-phenylamine, AGN-PC-00PD59, CTK3J3782, ZLC0406, MolPort-003-984-726, ACT00139, BUTTPARK 120\07-56, ANW-35075, CL8426, FC1160, RW1193, ZINC19616304, AKOS005063866

Molecular Formula: C6H5FINMolecular Weight: 237.013473 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KUVVJHBHRIXJKI-UHFFFAOYSA-N

• 3-Aminoisoquinoline
IUPAC Name: isoquinolin-3-amine | CAS Registry Number: 25475-67-6
Synonyms: 3-Isoquinolinamine, isoquinolin-3-amine, Isoquinoline, 3-amino-, BTB 10019, CID311869, NSC218383, SDCCGMLS-0065877.P001, TL8002068, InChI=1/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11

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

InChIKey: VYCKDIRCVDCQAE-UHFFFAOYSA-N

• 2-Amino-6-chloro-3-nitropyridine
IUPAC Name: 6-chloro-3-nitropyridin-2-amine | CAS Registry Number: 27048-04-0
Synonyms: EINECS 248-188-5, BB_SC-2995, 6-Chloro-3-nitropyridin-2-ylamine, CID2724035, TL8002178

Molecular Formula: C5H4ClN3O2Molecular Weight: 173.557160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WERABQRUGJIMKQ-UHFFFAOYSA-N

• 1-(4-Trifluoromethylphenyl)piperazine
IUPAC Name: 1-[4-(trifluoromethyl)phenyl]piperazine | CAS Registry Number: 30459-17-7
Synonyms: 80077_FLUKA, EINECS 250-210-3, CID121718, 1-(4-(Trifluoromethyl)phenyl)piperazine, 1-(4-Trifluoromethyl-phenyl)-piperazine, ST5405634, 1-(alpha,alpha,alpha-Trifluoro-p-tolyl)piperazine

Molecular Formula: C11H13F3N2Molecular Weight: 230.229530 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: IBQMAPSJLHRQPE-UHFFFAOYSA-N

• 2,4-Dihydroxybenzamide
IUPAC Name: 2,4-dihydroxybenzamide | CAS Registry Number: 3147-45-3
Synonyms: beta-Resorcylamide, .beta.-Resorcylamide, Ambap5073, Benzamide, 2,4-dihydroxy-, 1,3,4-Resorcylic acid amide, NSC60728, EINECS 221-567-2, NSC 60728

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

InChIKey: IIUJCQYKTGNRHH-UHFFFAOYSA-N

• 4-Fluorophthalic anhydride
IUPAC Name: 5-fluoro-2-benzofuran-1,3-dione | CAS Registry Number: 319-03-9
Synonyms: Ambap6215, 1,3-Isobenzofurandione, 5-fluoro-, 641375_ALDRICH, 5-Fluoro-2-benzofuran-1,3-dione, NSC42091, InChI=1/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3

Molecular Formula: C8H3FO3Molecular Weight: 166.106023 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XVMKZAAFVWXIII-UHFFFAOYSA-N

• 6-Fluoroindole-2-carboxylic acid ethyl ester
IUPAC Name: ethyl 6-fluoro-1H-indole-2-carboxylate | CAS Registry Number: 348-37-8
Synonyms: Ethyl 6-fluoroindole-2-carboxylate, ethyl 6-fluoro-1H-indole-2-carboxylate, SBB066617, zlchem 483, PubChem1680, SureCN2465902, AGN-PC-00P0Z8, ZLC0348, MolPort-001-773-407, ANW-46054, ZINC02384050, AKOS009160429, QC-1570, RD-0130, AK-78659, KB-51463, KB-77189, ethyl 6-fluoranyl-1H-indole-2-carboxylate, AB1005655, KB-248653

Molecular Formula: C11H10FNO2Molecular Weight: 207.201003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KOLXHQLPMICACW-UHFFFAOYSA-N

• 1H-Pyrazole-1-carboxamidine hydrochloride
IUPAC Name: pyrazole-1-carboximidamide | CAS Registry Number: 4023-02-3
Synonyms: Praxadine, Praxadine [INN:DCF], Pyrazole-1-carboxamidine, ZINC04217344, CID2734673, NCGC00165996-01, 4023-00-1

Molecular Formula: C4H6N4Molecular Weight: 110.117240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UCQFSGCWHRTMGG-UHFFFAOYSA-N

• 4-Chlorobenzoylacetonitrile
IUPAC Name: 3-(4-chlorophenyl)-3-oxopropanenitrile | CAS Registry Number: 4640-66-8
Synonyms: Maybridge1_004509, p-Chlorophenacyl cyanide, 586374_ALDRICH, TOS-BB-1132, ALBB-008723, 3-(4-chlorophenyl)-3-oxopropanenitrile, CID138308, ZINC00095250, ST5405925, TL8003207

Molecular Formula: C9H6ClNOMolecular Weight: 179.603040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JYOUFPNYTOFCSJ-UHFFFAOYSA-N

• 3-(2-Aminoethyl)-5-nitroindole
IUPAC Name: 2-(5-nitro-1H-indol-3-yl)ethanamine | CAS Registry Number: 55747-72-3
Synonyms: CBDivE_014657, Oprea1_010029, Oprea1_339308, STOCK5S-42838, 5-Nitro-1H-indole-3-ethanamine, 1H-Indole-3-ethanamine, 5-nitro-, CID151295, N-8150

Molecular Formula: C10H11N3O2Molecular Weight: 205.213240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GPZRBKWRRKBOAC-UHFFFAOYSA-N

• 5-Chloromethyl-3-(4-chlorophenyl)-1,2,4-oxadiazole
IUPAC Name: 5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole | CAS Registry Number: 57238-75-2
Synonyms: ZINC00159206, CID2735758, 10X-0347

Molecular Formula: C9H6Cl2N2OMolecular Weight: 229.062740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BJVYSQGEJHKTBW-UHFFFAOYSA-N

• 1-Bromo-4-iodobenzene
IUPAC Name: 1-bromo-4-iodobenzene | CAS Registry Number: 589-87-7
Synonyms: p-Bromoiodobenzene, p-Iodobromobenzene, p-Bromophenyl iodide, Benzene, 1-bromo-4-iodo-, 4-BROMOIODOBENZENE, 238090_ALDRICH, NSC8033, NSC 8033, EINECS 209-662-7, BBV-080402, AI3-09032, InChI=1/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4

Molecular Formula: C6H4BrIMolecular Weight: 282.904430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UCCUXODGPMAHRL-UHFFFAOYSA-N

• 4-Hydroxyphthalic acid
IUPAC Name: 4-hydroxyphthalic acid | CAS Registry Number: 610-35-5
Synonyms: 4-HYDROXYPHTHALATE, Oprea1_621275, EINECS 210-221-6, 1,2-Benzenedicarboxylic acid, 4-hydroxy-, C06680

Molecular Formula: C8H6O5Molecular Weight: 182.130240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: MWRVRCAFWBBXTL-UHFFFAOYSA-N

• 5,6-Dimethoxybenzimidazole
IUPAC Name: 5,6-dimethoxy-1H-benzimidazole | CAS Registry Number: 72721-02-9
Synonyms: 5,6-Dimethoxy-1H-benzimidazole, 5,6-dimethoxy-1H-benzo[d]imidazole, AG-G-86457, F3308-2815, 5,6-Dimethoxy-1H-benzoimidazole, zlchem 828, PubChem7603, AC1LCJ8V, SureCN953077, CTK5D6703, ZLD0289, 1H-Benzimidazole,5,6-dimethoxy-, MolPort-001-759-876, ACT06214, ACT06236, ANW-72512, SBB016861, STL368334, ZINC02566792, 5,6-dimethoxy-1H-1,3-benzodiazole

Molecular Formula: C9H10N2O2Molecular Weight: 178.187900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BTWUUHKQHOSMIN-UHFFFAOYSA-N

• 3-Bromo-1-benzothiophene
IUPAC Name: 3-bromo-1-benzothiophene | CAS Registry Number: 7342-82-7
Synonyms: 3-Bromobenzo[b]thiophene, 3-Bromothianaphthene, 3-Bromobenzothiophene, Benzo[b]thiophene, 3-bromo-,, Benzo(b)thiophene, 3-bromo-, 494976_ALDRICH, CID123250, SBB003415, ZINC00158713

Molecular Formula: C8H5BrSMolecular Weight: 213.094300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SRWDQSRTOOMPMO-UHFFFAOYSA-N

• 4-Aminonicotinic acid
IUPAC Name: 4-aminopyridine-3-carboxylic acid | CAS Registry Number: 7418-65-7
Synonyms: 4-aminonicotinic acid, 4-Amino-nicotinic acid, 4-Amino Nicotinic Acid, TPC-PY092, 4-Amino-3-pyridinecarboxylic acid, 11585_FLUKA, NSC266130, ZINC00333065, ST5211895, TL8005122, AF-807/00322021

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IASBMUIXBJNMDW-UHFFFAOYSA-N

• 2-Bromo-5-nitroanisole
IUPAC Name: 1-bromo-2-methoxy-4-nitrobenzene | CAS Registry Number: 77337-82-7
Synonyms: Ambap7724, 2-Bromo-5-nitroanisol, 4-Bromo-3-methoxynitrobenzene, 1-Bromo-2-methoxy-4-nitrobenzene, EINECS 278-669-5, NSC405572, ZINC01598621, Benzene, 1-bromo-2-methoxy-4-nitro-, ST5405659, TL800742060, AE-641/00638021

Molecular Formula: C7H6BrNO3Molecular Weight: 232.031440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NTKADLOYTKVXQN-UHFFFAOYSA-N

• 2-Iodo-4-nitrophenol
IUPAC Name: 2-iodo-4-nitrophenol | CAS Registry Number: 89487-91-2
Synonyms: Ambap6350, NSC141347, CID284949

Molecular Formula: C6H4INO3Molecular Weight: 265.005330 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BKQFOYCEUMVWOW-UHFFFAOYSA-N

• 6-methoxy-3,4-dihydronaphthalen-2-one
IUPAC Name: 6-methoxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 2472-22-2
Synonyms: 6-Methoxy-2-tetralone, 6-methoxytetralin-2-one, Maybridge4_003003, 184063_ALDRICH, ZINC03880912, CID75582, EINECS 219-592-9, NCGC00176317-01, ST5330533, 6-Methoxy-3,4-dihydro-2(1H)-naphthalenone, 2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-, 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RMRKDYNVZWKAFP-UHFFFAOYSA-N

• 5-hydroxypyrimidine
IUPAC Name: pyrimidin-5-ol | CAS Registry Number: 284682-27-5
Synonyms: 5-Hydroxypyrimidine, 5-Pyrimidinol, pyrimidin-5-ol, 26456-59-7, zlchem 890, PubChem20799, 5-PYRIMIDINYLOXY, ACMC-209zxi, AC1Q7AQS, SureCN147677, AC1LBX75, CTK1A1770, ZLD0351, MolPort-003-848-043, ACT08656, 5-Hydroxypyrimidine;Pyrimidin-5-ol;, ANW-50836, AR-1G9477, ZINC04566580, AKOS006282730

Molecular Formula: C4H4N2OMolecular Weight: 96.087360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LTXJLQINBYSQFU-UHFFFAOYSA-N

• 5-Iodo-2,4-dichloropyrimidine
IUPAC Name: 2,4-dichloro-5-iodopyrimidine | CAS Registry Number: 13544-44-0
Synonyms: NCIOpen2_006533, 2,4-Dichloro-5-iodopyrimidine, NSC97872, TL8007068

Molecular Formula: C4HCl2IN2Molecular Weight: 274.874610 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RGJNPJRAXMSHKN-UHFFFAOYSA-N


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