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• 2-Bromo-6-fluorobenzoic acid
IUPAC Name: 2-bromo-6-fluorobenzoic acid | CAS Registry Number: 2252-37-1
Synonyms: NSC190302, CID302621

Molecular Formula: C7H4BrFO2Molecular Weight: 219.007863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MDAZJVAIZVUWDE-UHFFFAOYSA-N

• 2,3,4,5-Tetrahydro-benzo[c]azepin-1-one
IUPAC Name: 2,3,4,5-tetrahydro-2-benzazepin-1-one | CAS Registry Number: 6729-50-6
Synonyms: 2,3,4,5-tetrahydrobenzo[c]azepin-1-one, 2,3,4,5-Tetrahydro-1H-benzo[c]azepin-1-one, AG-G-54402, 1H-2-BENZAZEPIN-1-ONE, 2,3,4,5-TETRAHYDRO-, SureCN1894080, AGN-PC-0052MC, CTK5C6008, ZINC12650577, AKOS006344964, AB19134, AC-6563, RP22437, AK-36067, KB-16499, WT-131320, A9032, FT-0081125, FT-0651041, I01-9514, 2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPIN-1-ONE

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WWQPGNZHJFFKRW-UHFFFAOYSA-N

• 1,6-Naphthyridine
IUPAC Name: 1,6-naphthyridine | CAS Registry Number: 253-72-5
Synonyms: 1,6-Diazanaphthalene, Ambad47, 1,6-Pyridopyridine, CHEBI:36627, 2,8-dihydro-1,6-naphthyridine, 1,6-naphthyridine, 2,8-dihydro-, CID67488, InChI=1/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6

Molecular Formula: C8H6N2Molecular Weight: 130.146640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VSOSXKMEQPYESP-UHFFFAOYSA-N

• 2-Ethyl-1h-Benzimidazole
IUPAC Name: 2-ethyl-1H-benzimidazole | CAS Registry Number: 1848-84-6
Synonyms: 2-Ethylbenzimidazole, 2-Ethyl-1H-benzimidazole, 1H-Benzimidazole, 2-ethyl-, BENZIMIDAZOLE, 2-ETHYL-, Enamine_005373, MLS000532151, EINECS 217-433-8, WLN: T56 BM DNJ C2, NSC 28961, NSC 38878, ALBB-003847, CID15807, NSC28961, NSC38878, BRN 0116484, STK501711, ZINC00055212, AI3-51842, LS-32958, SMR000137092

Molecular Formula: C9H10N2Molecular Weight: 146.189100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QHCCOYAKYCWDOJ-UHFFFAOYSA-N

• 5-Nitro-2-Indanone
IUPAC Name: 5-nitro-1,3-dihydroinden-2-one | CAS Registry Number: 116530-60-0
Synonyms: 5-Nitro-2-indanone, 5-nitro-1,3-dihydroinden-2-one, ZINC01420785, CID1502066, N12350

Molecular Formula: C9H7NO3Molecular Weight: 177.156780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VSEBFWRYDORZJI-UHFFFAOYSA-N

• 3-(morpholin-4-Ylmethyl)aniline
IUPAC Name: 3-(morpholin-4-ylmethyl)aniline | CAS Registry Number: 123207-48-7
Synonyms: 3-(morpholin-4-ylmethyl)aniline, 3-(Morpholinomethyl)aniline, 3-Morpholin-4-ylmethyl-phenylamine, 3-(4-morpholinylmethyl)aniline, Benzenamine,3-(4-morpholinylmethyl)-, 3-(morpholin-4-ylmethyl)phenylamine, BAS 10834812, AC1LM3SN, SureCN264786, AC1Q51NQ, Oprea1_370020, 3-morpholin-4-ylmethyl-aniline, ACMC-1C516, CTK4B3425, MolPort-000-143-148, 3-[(morpholin-4-yl)methyl]aniline, ANW-56493, SBB007086, STK301783, ZINC19400830

Molecular Formula: C11H16N2OMolecular Weight: 192.257540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IHHKTIKNEDOMIK-UHFFFAOYSA-N

• 3-Fluoro-4-nitropyridine N-oxide
IUPAC Name: 3-fluoro-4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 769-54-0
Synonyms: 3-Fluoro-4-nitropyridine-N-oxide, 3-Fluoro-4-nitropyridine 1-oxide, AG-H-07333, 3-fluoro-4-nitropyridin-1-ium-1-olate, PubChem17589, ACMC-1BDSY, SureCN1815079, AC1LC456, CTK5E3631, MolPort-002-041-220, 3-Fluoro-4-nitropyridine N-oxide;, ANW-51426, CL0135, SBB069002, ZINC02559899, AKOS006273061, PB24629, Pyridine,3-fluoro-4-nitro-, 1-oxide, RP22158, 3-fluoro-4-nitro-1-oxidopyridin-1-ium

Molecular Formula: C5H3FN2O3Molecular Weight: 158.087323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QHWIGULJOZAPAQ-UHFFFAOYSA-N

• 5-Pyrimidinemethanamine
IUPAC Name: pyrimidin-5-ylmethylazanium | CAS Registry Number: 25198-95-2
Synonyms: ZINC06667028

Molecular Formula: C5H8N3+Molecular Weight: 110.137120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: USRYWZFLGFQQEB-UHFFFAOYSA-O

• 4-Fluoro-2-Mercaptobenzoic Acid
IUPAC Name: 4-fluoro-2-sulfanylbenzoic acid | CAS Registry Number: 81223-43-0
Synonyms: 4-FLUORO-2-MERCAPTOBENZOIC ACID, 4-fluoro-2-sulfanylbenzoic acid, AC1Q72KO, SureCN2949444, 4-Fluoro-2-mercapto-Benzoicacid, 4-Fluoro-2-mercaptobenzoicacid;, CTK3E7783, MolPort-002-471-962, Benzoicacid, 4-fluoro-2-mercapto-, RW3493, AKOS005216614, AG-H-26356, MCULE-1038890983, QC-2338, KB-38663, FT-0686555, EN300-43828, A19200

Molecular Formula: C7H5FO2SMolecular Weight: 172.176803 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CZRNYBPPRDZSEB-UHFFFAOYSA-N

• 2-Chloro-4-methylpyrimidine
IUPAC Name: 2-chloro-4-methylpyrimidine | CAS Registry Number: 13036-57-2
Synonyms: 2-chloro-4-methyl-pyrimidine, SBB054509, AG-D-61608, PYRIMIDINE, 2-CHLORO-4-METHYL-, PubChem6906, KSC493S3L, AGN-PC-00D00F, Jsp001843, CTK3J3935, 2-Chloro-4-methyl-1,3-diazine, MolPort-000-002-826, 2-CHLORO-6-METHYLPYRIMIDINE, ACN-S003217, ACT01493, ANW-19187, SC2231, STL220706, ZINC02515987, AKOS000283811, AC-6943

Molecular Formula: C5H5ClN2Molecular Weight: 128.559600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BHAKRVSCGILCEW-UHFFFAOYSA-N

• (S)-1-Chloro-2-propanol
IUPAC Name: (2S)-1-chloropropan-2-ol | CAS Registry Number: 37493-16-6
Synonyms: AG-F-31841, PubChem14072, AC1LD21T, (2S)-1-chloropropan-2-ol, CTK4H8305, MolPort-005-937-216, ZINC01713391, AKOS015840155, LS30025, KB-03663, 2-Propanol, 1-chloro-,(2S)- (9CI), BB 0262563, FT-0080349, M-3674, I14-6585, I14-8454, InChI=1/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H, 2-Propanol,1-chloro-, (S)-; (+)-1-Chloro-2-propanol; (S)-1-Chloro-2-propanol

Molecular Formula: C3H7ClOMolecular Weight: 94.540080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YYTSGNJTASLUOY-VKHMYHEASA-N

• 1,3,5-Tribromobenzene
IUPAC Name: 1,3,5-tribromobenzene | CAS Registry Number: 626-39-1
Synonyms: 1,3,5-TRIBROMOBENZENE, Benzene, 1,3,5-tribromo-, NCIOpen2_008123, 140066_ALDRICH, NSC62439, 90715_FLUKA, EINECS 210-947-3, NSC 62439, CID12279, AI3-15483, LS-32209, TL806114, ST5406609, InChI=1/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula: C6H3Br3Molecular Weight: 314.800020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N

• 5-Acetyloxindole
IUPAC Name: 5-acetyl-1,3-dihydroindol-2-one | CAS Registry Number: 64483-69-8
Synonyms: 5-ACETYLOXINDOLE, 5-acetylindolin-2-one, SBB067219, 5-acetyl-2,3-dihydro-1H-indol-2-one, 5-acetyl-1,3-dihydroindol-2-one, PubChem7308, zlchem 1098, 5-acetyl-2-oxoindoline, SureCN688076, AC1Q1JY6, CTK5C1290, ZLD0566, MolPort-003-984-699, 5-ethanoyl-1,3-dihydroindol-2-one, ZINC19269461, AKOS000152209, AG-G-41987, MCULE-8710857740, 5-acetyl-1,3-dihydro-2H-indol-2-one, 2H-Indol-2-one,5-acetyl-1,3-dihydro-

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HRMQSJQDTTZJPC-UHFFFAOYSA-N

• 3-(4-Iodophenyl)propionic Acid
IUPAC Name: 3-(4-iodophenyl)propanoic acid | CAS Registry Number: 1643-29-4
Synonyms: Ambap4716, NSC31595, CID233238

Molecular Formula: C9H9IO2Molecular Weight: 276.071030 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SJMRZGIIQIWIFS-UHFFFAOYSA-N

• 3-(3-Hydroxy-Propylamino)-Propan-1-Ol
IUPAC Name: 3-(3-hydroxypropylamino)propan-1-ol | CAS Registry Number: 14002-33-6
Synonyms: 3-(3-Hydroxy-propylamino)-propan-1-ol, 3-(3-hydroxypropylamino)propan-1-ol, AG-D-80455, 85305-25-5, Dipropanolamine, Tallow di(hydroxypropyl)amine, Propanol, iminobis-, 3,3'-Iminodi-1-propanol, AC1L317B, Jsp002386, CTK3F0617, MolPort-005-940-927, 3,3'-Azanediylbis(propan-1-ol), EINECS 269-796-7, EINECS 286-662-3, AC-515, ANW-56510, 3-(3-hydroxypropylamino)-1-propanol, 3-(3-oxidanylpropylamino)propan-1-ol, AKOS009030989

Molecular Formula: C6H15NO2Molecular Weight: 133.188800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: CXMYWOCYTPKBPP-UHFFFAOYSA-N

• 2'-Fluoro-5'-Hydroxyacetophenone
IUPAC Name: 1-(2-fluoro-5-hydroxyphenyl)ethanone | CAS Registry Number: 145300-04-5
Synonyms: 1-(2-Fluoro-5-hydroxyphenyl)ethanone, Ethanone,1-(2-fluoro-5-hydroxyphenyl)-, ACMC-1C0WB, AGN-PC-0035RY, CTK4C4473, MolPort-002-317-233, ANW-53000, CL8643, ZINC14989323, AKOS006330039, AG-D-89116, 1-(2-Fluoro-5-hydroxyphenyl)ethanone;, AK-94105, KB-24029, Ethanone, 1-(2-fluoro-5-hydroxyphenyl)-, FT-0080878, FT-0650976, I01-2200

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IYTWDJSAUFFBRM-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

• 1H-Pyrazole-3-carboxylic acid
IUPAC Name: 1H-pyrazole-5-carboxylic acid | CAS Registry Number: 1621-91-6
Synonyms: Pyrazole-5-carboxylic acid, 5-quinoxalinecarboxylic acid, quinoxaline-5-carboxylic acid, MLS001048880, ZERO/001694, ALBB-006075, BBV-083675, EC-000.1960, SMR000387081, InChI=1/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8

Molecular Formula: C4H4N2O2Molecular Weight: 112.086760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KOPFEFZSAMLEHK-UHFFFAOYSA-N

• 2,5-Furandicarboxylic Acid
IUPAC Name: furan-2,5-dicarboxylic acid | CAS Registry Number: 3238-40-2
Synonyms: Dehydromucic acid, 2,5-Furandicarboxylic acid, AIDS018155, AIDS-018155, CID76720, NSC40740, EINECS 221-800-8, NSC 40740, Furane-alpha,alpha'-dicarboxylic acid, EC-000.1599, Furane-.alpha.,.alpha.'-dicarboxylic acid

Molecular Formula: C6H4O5Molecular Weight: 156.092960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: CHTHALBTIRVDBM-UHFFFAOYSA-N

• 2-(2-Hydroxyethyl) Benzimidazole
IUPAC Name: 2-(1H-benzimidazol-2-yl)ethanol | CAS Registry Number: 4857-01-6
Synonyms: 2-Benzimidazoleethanol, 1H-Benzimidazole-2-ethanol, NCIOpen2_001557, 2-(2-Hydroxyethyl)benzimidazole, 2-(Hydroxyethyl)benzimidazole, 2-Benzimidazoleethanol (8CI), 2-(beta-Hydroxyethyl)benzimidazole, NSC84165, NSC 84165, 2-(.beta.-Hydroxyethyl)benzimidazole, ST5443257

Molecular Formula: C9H10N2OMolecular Weight: 162.188500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KNWQKDWAKRSKIF-UHFFFAOYSA-N

• 4-Formyl-Benzoic Acid Mono Tert-Butyl Ester
IUPAC Name: tert-butyl 4-formylbenzoate | CAS Registry Number: 65874-27-3
Synonyms: ZINC02573151, AC1MBJAV, tert-butyl 4-formylbenzoate, tert-butyl 4-methanoylbenzoate, CTK5C3210, 4-(tert-Butoxycarbonyl)benzaldehyde, SBB068817, 4-formylbenzoic acid tert-butyl ester, AKOS004906771, AG-G-47975, 4-formyl-benzoic acid mono tert-butyl ester, KB-191567, BB 0262377, FT-0655351, A835260, Benzoicacid, 4-formyl-, 1,1-dimethylethyl ester, S01-0297, 4-(tert-Butoxycarbonyl)benzaldehyde;4-Formylbenzoic acid tert-butyl ester; tert-Butyl 4-formylbenzoate

Molecular Formula: C12H14O3Molecular Weight: 206.237760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DUNFNBQQWYQKFE-UHFFFAOYSA-N

• 2-Amino-4-hydroxypyrimidine
IUPAC Name: 2-amino-1H-pyrimidin-6-one | CAS Registry Number: 108-53-2
Synonyms: Isocytosine, 2-Aminouracil, Isocytosine (VAN), 2-Amino-4-pyrimdinol, 2-Amino-4-pyrimidone, 2-Amino-4-oxypyrimidine, 2-Amino-4-pyrimidol, 4-Pyrimidinol, 2-amino-, 4(3H)-Pyrimidinone, 2-amino-, 2-aminopyrimidin-4(1H)-one, 2-aminopyrimidin-4(3H)-one, 4(1H)-Pyrimidinone, 2-amino-, I2127_SIGMA, 2-Amino-3H-pyrimidin-4-one, AIDS020793, AIDS045569, AIDS081807, AIDS-020793, AIDS-045569, AIDS-081807

Molecular Formula: C4H5N3OMolecular Weight: 111.102000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XQCZBXHVTFVIFE-UHFFFAOYSA-N

• 5-Cyano-1H-indazole
IUPAC Name: 1H-indazole-5-carbonitrile | CAS Registry Number: 74626-47-4
Synonyms: 1H-indazole-5-carbonitrile, AG-G-96808, 5-Cyano Indazole, 5-CYANOINDAZOLE, 5-Cyano (1H)indazole, SureCN774832, SureCN6812511, INDAZOLE-5-CARBONITRILE, CTK2H6872, MolPort-000-002-982, ANW-50860, QC-143, RW3964, STL273318, ZINC14985966, AKOS005145960, MCULE-4525178713, OR30733, PB12815, RP01353

Molecular Formula: C8H5N3Molecular Weight: 143.145400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YGBYVNQFNMXDJM-UHFFFAOYSA-N

• 7-Methoxy-2-tetralone
IUPAC Name: 7-methoxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 4133-34-0
Synonyms: 164186_ALDRICH, ZINC04027233, CID77785, EINECS 223-954-1, ST5330534, 2(1H)-Naphthalenone, 3,4-dihydro-7-methoxy-, 7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one

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

InChIKey: XEAPZXNZOJGVCZ-UHFFFAOYSA-N

• 3-Methyl-1H-1,2,4-Triazole
IUPAC Name: 5-methyl-1H-1,2,4-triazole | CAS Registry Number: 7170-01-6
Synonyms: s-Triazole, 3-methyl-, 1H-pyrazole-1-methanol, 1H-pyrazol-1-ylmethanol, 3-Methyl-1,2,4-triazole, 1H-1,2,4-Triazole, 3-methyl-, 3-Methyl-4H-1,2,4-triazole, NSC202575, STK352872, AIDS230594, AIDS-230594, CID305560, ZINC12398213, BBV-5094502, InChI=1/C3H5N3/c1-3-4-2-5-6-3/h2H,1H3,(H,4,5,6

Molecular Formula: C3H5N3Molecular Weight: 83.091900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PZKFSRWSQOQYNR-UHFFFAOYSA-N

• 2,4-Bis(trifluoromethyl)benzaldehyde
IUPAC Name: 2,4-bis(trifluoromethyl)benzaldehyde | CAS Registry Number: 59664-42-5
Synonyms: Ambap6050, 526401_ALDRICH, ZINC02575061, JRD-0328, 2,4-Bis-trifluoromethyl-benzaldehyde, CID2736095

Molecular Formula: C9H4F6OMolecular Weight: 242.117879 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: DLRCWXOCZIUZBS-UHFFFAOYSA-N

• 2,5-Thiophenedicarboxaldehyde
IUPAC Name: thiophene-2,5-dicarbaldehyde | CAS Registry Number: 932-95-6
Synonyms: 2,5-Diformylthiophene, 2,5-Thiophenedicarbaldehyde, 429880_ALDRICH, SBB000080, ZINC00042388, InChI=1/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4

Molecular Formula: C6H4O2SMolecular Weight: 140.159760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OTMRXENQDSQACG-UHFFFAOYSA-N

• 5-Bromo-6-azauracil
IUPAC Name: 6-bromo-2H-1,2,4-triazine-3,5-dione | CAS Registry Number: 4956-05-2
Synonyms: ZINC01232018, CID151240, ZINC04130780, as-Triazine-3,5(2H,4H)-dione, 6-bromo-, 6-Bromo-as-triazine-3,5(2H,4H)-dione, 6-Bromo-[1,2,4]triazine-3,5-diol, BAS 02998903, LS-155383, ST5181818, ST5451399, 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione, AE-641/01647016

Molecular Formula: C3H2BrN3O2Molecular Weight: 191.970880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VNTFEWXYAOATFA-UHFFFAOYSA-N

• 5,6-Dihydro-2H-pyran-2-one
IUPAC Name: 2,5-dihydropyran-6-one | CAS Registry Number: 3393-45-1
Synonyms: 2H-Pyran-2-one, 3,6-dihydro, 2H-Pyran-2-one, 5,6-dihydro-

Molecular Formula: C5H6O2Molecular Weight: 98.099940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VREFDQNWPNDZEX-UHFFFAOYSA-N

• 4'-Chlorobiphenyl-2-carbaldehyde
IUPAC Name: 2-(4-chlorophenyl)benzaldehyde | CAS Registry Number: 153850-83-0
Synonyms: 2-(4-chlorophenyl)benzaldehyde, 4'-CHLORO-BIPHENYL-2-CARBALDEHYDE, AG-E-01623, [1,1'-Biphenyl]-2-carboxaldehyde,4'-chloro-, ZINC01259028, AC1LRDDO, ACMC-20c3z4, CHEMBL2315973, CTK4C8007, 4'-Chlorobiphenyl-2-carboxaldehyde;, OR7355, RW3966, AKOS002683478, QC-3597, AK-81831, EN002676, KB-38196, 4'-Chloro-[1,1'-biphenyl]-2-carbaldehyde, BB 0220521, FT-0080627

Molecular Formula: C13H9ClOMolecular Weight: 216.662960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IRBHAVWDSJLCAS-UHFFFAOYSA-N

• 3-Methoxypyridine-1-Oxide
IUPAC Name: 3-methoxy-1-oxidopyridin-1-ium | CAS Registry Number: 14906-61-7
Synonyms: Pyridine, 3-methoxy-, 1-oxide, CID139850, ZINC00330857, Pyridinium,1-hydroxy-3-methoxy-,hydroxide,inner salt

Molecular Formula: C6H7NO2Molecular Weight: 125.125280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CREDSSUYAKFWJO-UHFFFAOYSA-N

• 4-Bromoheptane
IUPAC Name: 4-bromoheptane | CAS Registry Number: 998-93-6
Synonyms: Heptane, 4-bromo-, CID70460, EINECS 213-653-3, BBV-2069398

Molecular Formula: C7H15BrMolecular Weight: 179.098000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BNUTXEKPXPZAIT-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

• 4-Bromo-3-(trifluoromethyl)benzonitrile
IUPAC Name: 4-bromo-3-(trifluoromethyl)benzonitrile | CAS Registry Number: 1735-53-1
Synonyms: 3-Trifluoromethyl-4-bromobenzonitrile, 2-Bromo-5-cyanobenzotrifluoride, 4-bromo-3-(trifluoromethyl)benzenecarbonitrile, SBB063633, AG-E-23097, PubChem1576, ACMC-209e6z, SureCN403023, KSC494O4T, Jsp003542, CTK3J4749, MolPort-001-771-684, WT108, ACT00890, ANW-22665, ZINC02384143, AKOS015853121, 3-Trifluoromethyl-4-bromo benzonitrile, AB13696, AC-1434

Molecular Formula: C8H3BrF3NMolecular Weight: 250.015330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KSXUIQQDHHFSRN-UHFFFAOYSA-N

• 4-Chloroquinazoline
IUPAC Name: 4-chloroquinazoline | CAS Registry Number: 5190-68-1
Synonyms: 4-Chloro-quinazoline, Quinazoline, 4-chloro-, NSC53480, ALBB-003811, CID78864, ZERO/009804, NSC 53480, ZINC00809020, Quinazoline, 4-chloro- (8CI)(9CI), TL8003434, AE-842/32231036

Molecular Formula: C8H5ClN2Molecular Weight: 164.591700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GVRRXASZZAKBMN-UHFFFAOYSA-N

• 4-Phenyl-1,2,3-Thiadiazol-5-Amine
IUPAC Name: 4-phenylthiadiazol-5-amine | CAS Registry Number: 78301-72-1
Synonyms: 4-Phenyl-1,2,3-thiadiazol-5-amine, SBB052003, AG-H-14194, ZINC00128073, AC1MCME7, Maybridge1_008741, SureCN544517, 4-phenylthiadiazol-5-amine, Oprea1_587831, CTK5E5642, HMS566F07, MolPort-001-759-942, 5-Amino-4-phenyl-1,2,3-thiadiazole, 1,2,3-Thiadiazol-5-amine,4-phenyl-, 4-phenyl-1,2,3-thiadiazole-5-ylamine, KB-72852, FT-0619380, 4-PHENYL-[1,2,3]THIADIAZOL-5-YLAMINE, 5-Amino-4-phenyl-1,2,3-thiadiazole;4-phenyl-1,2,3-thiadiazol-5-amine;1,2,3-thiadiazol-5-amine, 4-phenyl-;4-phenyl-1,2,3-thiadiazole-5-ylamine;

Molecular Formula: C8H7N3SMolecular Weight: 177.226280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VPHYLVGCMWSAEJ-UHFFFAOYSA-N

• 5-Methoxy-2-fluorobenzyl cyanide
IUPAC Name: 2-(2-fluoro-5-methoxyphenyl)acetonitrile | CAS Registry Number: 672931-28-1
Synonyms: 5-Methoxy-2-fluorobenzylcyanide, 2-(2-fluoro-5-methoxyphenyl)acetonitrile, 2-FLUORO-5-METHOXYPHENYLACETONITRILE, SureCN622035, CTK2F2808, MolPort-002-317-192, ANW-49942, ZINC14989253, AKOS006330037, AG-G-54354, AS02335, (2-Fluoro-5-methoxyphenyl)acetonitrile;, 2-FLUORO-5-METHOXYBENZYL CYANIDE, AK-39788, Benzeneacetonitrile, 2-fluoro-5-methoxy-, BR-39788, KB-197906, AM20050096, FT-0081430, FT-0651139

Molecular Formula: C9H8FNOMolecular Weight: 165.164323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QSPYWCDXOCAMGL-UHFFFAOYSA-N

• 4-benzyloxyphenylhydrazine Hydrochloride
IUPAC Name: (4-phenylmethoxyphenyl)hydrazine hydrochloride | CAS Registry Number: 52068-30-1
Synonyms: EINECS 257-636-9, 4-Benzyloxyphenylhydrazine hydrochloride, D1259, (4-(Benzyloxy)phenyl)hydrazine monohydrochloride

Molecular Formula: C13H15ClN2OMolecular Weight: 250.724000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: OVNUPJXMCMTQCN-UHFFFAOYSA-N

• 1,3-Dimethylimidazolium Iodide
IUPAC Name: 1,3-dimethylimidazol-1-ium iodide | CAS Registry Number: 4333-62-4
Synonyms: 1-Methylimidazole methiodide, 1,3-Dimethylimidazolium iodide, NSC 114468, CID20334, NSC114468, IMIDAZOLIUM, 1,3-DIMETHYL-, IODIDE, 1H-Imidazolium, 1,3-dimethyl-, iodide, LS-79775, 1H-Imidazolium, 1,3-dimethyl-, iodide (9CI)

Molecular Formula: C5H9IN2Molecular Weight: 224.042830 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ARSMIBSHEYKMJT-UHFFFAOYSA-M

• 3-Iodo-4-Methoxy-Benzaldehyde
IUPAC Name: 3-iodo-4-methoxybenzaldehyde | CAS Registry Number: 2314-37-6
Synonyms: 3-iodo-4-methoxybenzaldehyde, 3-Iodo-4-methoxy-benzaldehyde, ZINC01410775, 3-Iodo-p-anisaldehyde, 4-Formyl-2-iodoanisole, ACMC-1CPD6, AC1LST17, CTK7H9271, 3-iodanyl-4-methoxy-benzaldehyde, MolPort-000-156-458, BBL023177, SBB068815, STK010409, AKOS003221110, AS03921, MCULE-4880183722, AC-20913, AK-81859, KB-32280, KB-236371

Molecular Formula: C8H7IO2Molecular Weight: 262.044450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RVWOHBWQJGLXIJ-UHFFFAOYSA-N

• 4-Bromo-2-hydroxy-benzaldehyde
IUPAC Name: 4-bromo-2-hydroxybenzaldehyde | CAS Registry Number: 22532-62-3
Synonyms: nchembio.107-comp12, 4-Bromo-2-hydroxybenzaldehyde, ZINC04290769, CID4066019, D1404

Molecular Formula: C7H5BrO2Molecular Weight: 201.017400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HXTWKHXDFATMSP-UHFFFAOYSA-N

• 2-Bromo-1-Cyclohexylethanone
IUPAC Name: 2-bromo-1-cyclohexylethanone | CAS Registry Number: 56077-28-2
Synonyms: 2-bromo-1-cyclohexylethanone, SBB070774, AG-F-96653, 2-bromo-1-cyclohexyl-ethanone, (Bromoacetyl)cyclohexane, AC1Q27FO, 2-bromo-1-cyclohexylethan-1-one, MolPort-002-471-552, ACT02954, ANW-75050, ZINC12480139, AKOS009102340, RP04513, AK-44967, BR-44967, Ethanone, 2-bromo-1-cyclohexyl- (9CI), KB-168692, A8075, FT-0080697, FT-0601963

Molecular Formula: C8H13BrOMolecular Weight: 205.092220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ADLIDZNESKOPIP-UHFFFAOYSA-N

• 1H-Imidazole, 2-(4-bromophenyl)-
IUPAC Name: 2-(4-bromophenyl)-1H-imidazole | CAS Registry Number: 176961-53-8
Synonyms: 2-(4-Bromo-phenyl)-1H-imidazole, 2-(4-bromophenyl)-1H-imidazole, AG-E-27317, 1H-IMIDAZOLE, 2-(4-BROMOPHENYL)-, SureCN482406, AGN-PC-00EA0W, CHEMBL552291, CTK3J8342, MolPort-008-266-546, 2-(4-BROMOPHENYL)IMIDAZOLE, ANW-59510, ZINC36377917, AKOS010226067, AB18739, AK-33753, KB-14734, FT-0080397, FT-0602658, ST51056568, A812223

Molecular Formula: C9H7BrN2Molecular Weight: 223.069280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IRIGPPDONXVEHU-UHFFFAOYSA-N

• 2-(3-Thienyl)ethanamine
IUPAC Name: 2-thiophen-3-ylethanamine | CAS Registry Number: 59311-67-0
Synonyms: 2-(THIOPHEN-3-YL)ETHANAMINE, [2-(3-Thienyl)ethyl]amine, 2-thien-3-ylethanamine, 2-(THIOPHEN-3-YL)ETHAN-1-AMINE, PubChem14605, 3-thiophenylethanylamine, SureCN265338, 3-THIOPHENEETHANAMINE, THIOPHENE-3-ETHYLAMINE, AC1Q54C5, CTK7E7628, MolPort-000-149-378, 2-THIOPHEN-3-YL-ETHYLAMINE, ANW-54613, AKOS000152261, AG-C-53435, MCULE-5409540983, PB24618, QC-3516, RP00860

Molecular Formula: C6H9NSMolecular Weight: 127.207360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OANLWIQYRRVBPY-UHFFFAOYSA-N

• 1H-Indazole-3-carboxylic acid, 5-nitro-
IUPAC Name: 5-nitro-1H-indazole-3-carboxylic acid | CAS Registry Number: 78155-76-7
Synonyms: 5-nitro-1H-indazole-3-carboxylic Acid, 5-Nitroindazole-3-carboxylic acid, 5-Nitro indazole carboxylic acid, SBB069487, 5-NITRO-3-(1H)INDAZOLE CARBOXYLIC ACID, PubChem11871, SureCN959264, AC1OG877, AC1Q748B, CTK2H6873, MolPort-000-148-962, ANW-61398, BBL021431, STK894144, WTI-11171, AKOS005144152, AG-A-86658, AG-C-23948, AG-H-13468, MCULE-8967569948

Molecular Formula: C8H5N3O4Molecular Weight: 207.143000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MLTOGNYOQHDCAN-UHFFFAOYSA-N

• 2-Benzooxazol-2-Yl-2-Methylpropionitrile
IUPAC Name: 2-(1,3-benzoxazol-2-yl)-2-methylpropanenitrile | CAS Registry Number: 157763-81-0
Synonyms: AmbTiB65270, MolPort-000-001-856, ZINC26896174, 2-Benzooxazol-2-yl-2-methylpropionitrile, B65270

Molecular Formula: C11H10N2OMolecular Weight: 186.209900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VNMKWZBURQHRLC-UHFFFAOYSA-N

• 1-(4-(4-Bromophenoxy)phenyl)ethanone
IUPAC Name: 1-[4-(4-bromophenoxy)phenyl]ethanone | CAS Registry Number: 54916-27-7
Synonyms: AG-F-91586, 1-[4-(4-bromophenoxy)phenyl]ethanone, 1-[4-(4-Bromo-phenoxy)-phenyl]-etha, SureCN2186784, CTK5A2764, 4'-(4-Bromophenoxy)acetophenone, MolPort-003-958-521, ANW-59474, SBB069486, ZINC19871487, AKOS000219473, MCULE-7484148474, 1-[4-(4-bromanylphenoxy)phenyl]ethanone, AC-18580, AK-35613, Ethanone,1-[4-(4-bromophenoxy)phenyl]-, 1-[4-(4-bromophenoxy)phenyl]ethan-1-one, KB-147067, FT-0081167, FT-0602696

Molecular Formula: C14H11BrO2Molecular Weight: 291.139940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YLBRBIMNUGZGTD-UHFFFAOYSA-N

• 1-Amino-6-cyano-1,2,3,4-tetrahydronaphthylene
IUPAC Name: 5-amino-5,6,7,8-tetrahydronaphthalene-2-carbonitrile | CAS Registry Number: 321330-31-8
Synonyms: SureCN4142891, AKOS006294217, AG-F-07279, KB-11117, FT-0692678, 1-AMINO-6-CYANO-1,2,3,4-TETRAHYDRONAPHTHALENE

Molecular Formula: C11H12N2Molecular Weight: 172.226380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IGJCZZMPAPFDGB-UHFFFAOYSA-N

• 4,4,-Dipyridylamine
IUPAC Name: N-pyridin-4-ylpyridin-4-amine | CAS Registry Number: 1915-42-0
Synonyms: Bis(4-pyridyl)amine, Oprea1_531095, NSC15067, N-(4-Pyridinyl)-4-pyridinamine, CID225529, ZINC00135825, SR-01000634173-1

Molecular Formula: C10H9N3Molecular Weight: 171.198560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KDWIKPVYQSPYIX-UHFFFAOYSA-N

• 6-Aza-2-thiouracil
IUPAC Name: 3-sulfanylidene-2H-1,2,4-triazin-5-one | CAS Registry Number: 626-08-4
Synonyms: AIDS081848, AIDS-081848, EINECS 210-929-5, 3-thioxo-2H-1,2,4-triazin-5-one, CID1275976, as-Triazine-3,5(2H,4H)-dione, 3-thio-, 3,4-Dihydro-3-thioxo-1,2,4-triazin-5(2H)-one, 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-3-thioxo-

Molecular Formula: C3H3N3OSMolecular Weight: 129.140420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HZPZCLDCTLLJTF-UHFFFAOYSA-N


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