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RR Labs Inc.

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Profile: RR Labs Inc. is a manufacturer of custom chemicals. Our list of products includes pyridine, isothiazoles, oxyindoles, boronic acids and chromones.

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• 2-ethynylpyridine
IUPAC Name: 2-ethynylpyridine | CAS Registry Number: 1945-84-2
Synonyms: 2-Ethynyl pyridine, pyridine, 2-ethynyl-, 469920_ALDRICH, SBB006619, ZINC02390334, FS001803, InChI=1/C7H5N/c1-2-7-5-3-4-6-8-7/h1,3-6

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

InChIKey: NHUBNHMFXQNNMV-UHFFFAOYSA-N

• 2-Fluoro-3-(trifluoromethyl)phenylacetonitrile
IUPAC Name: 2-[2-fluoro-3-(trifluoromethyl)phenyl]acetonitrile | CAS Registry Number: 239087-10-6
Synonyms: 537888_ALDRICH, MolPort-000-156-081, ZINC02600095, JRD-0590, CID2737596, LT03496838, 2-(2-Fluoro-3-(trifluoromethyl)phenyl)acetonitrile

Molecular Formula: C9H5F4NMolecular Weight: 203.136313 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: VUUVDTMSSVKPDJ-UHFFFAOYSA-N

• 2-fluoro-4-iodobenzonitrile
IUPAC Name: 2-fluoro-4-iodobenzonitrile | CAS Registry Number: 137553-42-5
Synonyms: 3-Fluoro-4-cyano-1-iodobenzene, 2-fluoro-4-iodobenzenecarbonitrile, SBB063610, AG-D-76295, ZINC02243113, PubChem4778, ACMC-209xcp, AC1MCOK8, SureCN171635, KSC493I5T, Benzonitrile,2-fluoro-4-iodo-, Benzonitrile, 2-fluoro-4-iodo-, CTK3J3459, MolPort-001-773-247, 3-Fluoro-4-cyano-1-iodobenzene;, ACT00553, ANW-47495, AKOS015853422, AC-4072, AM61315

Molecular Formula: C7H3FINMolecular Weight: 247.008293 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WHQVXHBSTRFRCE-UHFFFAOYSA-N

• 2-Fluoro-6-(difluoromethoxy)pyridine
IUPAC Name: 2-(difluoromethoxy)-6-fluoropyridine | CAS Registry Number: 947534-62-5
Synonyms: 2-(difluoromethoxy)-6-fluoropyridine, 2-fluoro-6-difluoromethoxypyridine, SBB054338, KSC496G1J, CTK3J6314, MolPort-001-773-069, ACT03480, ANW-44298, ZINC16158729, AKOS006344291, AG-H-91008, AM84122, RL05970, difluoro(6-fluoro(2-pyridyloxy))methane, AK-80109, Difluoromethyl 6-fluoropyridin-2-yl ether, EN001785, KB-24107, KB-230656, FT-0081657

Molecular Formula: C6H4F3NOMolecular Weight: 163.097270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: IACWJJQKDUBNHE-UHFFFAOYSA-N

• 2-Fluoro-Isonicotinic Acid
IUPAC Name: 2-fluoropyridine-4-carboxylic acid | CAS Registry Number: 402-65-3
Synonyms: Ambap5464, 2-Fluoroisonicotinic acid, 593885_ALDRICH, NSC402973, 2-Fluoropyridine-4-carboxylic acid, CID345360, TL8002923

Molecular Formula: C6H4FNO2Molecular Weight: 141.099863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JMPFWDWYGOWUFP-UHFFFAOYSA-N

• 2-Methoxypyridine-4-carboxaldehyde
IUPAC Name: 2-methoxypyridine-4-carbaldehyde | CAS Registry Number: 72716-87-1
Synonyms: 2-methoxyisonicotinaldehyde, 2-methoxypyridine-4-carbaldehyde, 4-FORMYL-2-METHOXYPYRIDINE, SBB052227, AG-G-86443, 2-Methoxy-pyridine-4-carbaldehyde, PubChem17088, AC1MC7NU, AC1Q4FB5, KSC636M9F, CTK5D6692, MolPort-000-140-123, ACT11384, 4-Pyridinecarboxaldehyde,2-methoxy-, ANW-49839, ZINC08698217, AKOS006230735, PB32415, QC-4222, RP01116

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VOCKNCWQVHJMAE-UHFFFAOYSA-N

• 2-methyl-3-nitrophenylacetic acid
IUPAC Name: 2-(2-methyl-3-nitrophenyl)acetic acid | CAS Registry Number: 23876-15-5
Synonyms: 2-Methyl-3-nitrophenylacetic Acid, 2-methyl-3-nitro-benzeneacetic acid, 2-(2-Methyl-3-nitrophenyl)acetic acid, (2-Methyl-3-nitrophenyl)acetic acid, (3-Nitro-o-tolyl)acetic Acid, SBB063963, AG-E-70244, PubChem18230, ACMC-1CIOV, AGN-PC-00MXP8, SureCN1294540, CTK1A1850, 2-(Carboxymethyl)-6-nitrotoluene, MolPort-001-767-501, 2-Methyl-3-nitrophenylacetic acid;, ACN-S002756, ACN-S004160, ANW-25249, WT1651, AKOS009538207

Molecular Formula: C9H9NO4Molecular Weight: 195.172060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LWIOFILTAJJDLA-UHFFFAOYSA-N

• 2-Methyl-3H-Imidazo[4,5-B]pyridine
IUPAC Name: 2-methyl-1H-imidazo[4,5-b]pyridine | CAS Registry Number: 68175-07-5
Synonyms: MolPort-000-149-961, ZINC06369911, 2-Methyl-3H-imidazo[4,5-b]pyridine, CID3491069, FS000664, LT02090282, 8-methyl-5,7,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene, 7239-04-5

Molecular Formula: C7H7N3Molecular Weight: 133.150580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FZESPVBONPPRAW-UHFFFAOYSA-N

• 2-Pyridineacetonitrile, 6-Chloro-
IUPAC Name: 2-(6-chloropyridin-2-yl)acetonitrile | CAS Registry Number: 75279-60-6
Synonyms: 2-(6-Chloropyridin-2-yl)acetonitrile, (6-Chloro-pyridin-2-yl)-acetonitrile, (6-Chloropyridin-2-yl)acetonitrile, AG-G-99950, AGN-PC-01LQYE, CTK5E1369, 2-Pyridineacetonitrile,6-chloro-, MolPort-004-969-048, ANW-67756, ZINC39326120, 2-(6-chloro-2-pyridinyl)acetonitrile, AKOS006331472, 2-CHLOROPYRIDINE-6-ACETONITRILE, 6-CHLORO-2-PYRIDINEACETONITRILE, AB51195, RL04869, 2-(6-chloranylpyridin-2-yl)ethanenitrile, AK-82212, FS011420, KB-15251

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WJMGOQFPVZDUMV-UHFFFAOYSA-N

• 2-Trimethylsilanylethynyl-3-Cyanopyridine
IUPAC Name: 2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile | CAS Registry Number: 97308-49-1
Synonyms: MolPort-000-150-531, 2-Trimethylsilanylethynyl-3-cyanopyridine, FS002087

Molecular Formula: C11H12N2SiMolecular Weight: 200.311880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RDJSSNFIXWEMTA-UHFFFAOYSA-N

• 3,3-Difluoroazetidine hydrochloride
IUPAC Name: 3,3-difluoroazetidine;hydrochloride | CAS Registry Number: 288315-03-7
Synonyms: Azetidine, 3,3-difluoro-, hydrochloride (1:1), ACMC-1CLFN, AC1MBXQ6, SureCN79422, 665584_ALDRICH, CTK3J6168, 3,3-DIFLUOROAZETIDINE HCL, MolPort-000-154-249, HT009, 3,3-DIFLUOROAZETIDINE, HCL, ANW-49440, QC-688, WTI-10327, AKOS005063365, MCULE-3193422535, PB30826, RP08140, AK-39786, BR-39786, KB-27993

Molecular Formula: C3H6ClF2NMolecular Weight: 129.536246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CDBAEFXTCRKJPZ-UHFFFAOYSA-N

• 3-(3-(1,3-Dithian-2-Yl)phenyl)-5-Bromopyridine
IUPAC Name: 3-bromo-5-[3-(1,3-dithian-2-yl)phenyl]pyridine | CAS Registry Number: 850349-92-7
Synonyms: MolPort-000-150-332, ZINC15042823, FS000997, 3-(3-(1,3-Dithian-2-yl)phenyl)-5-bromopyridine

Molecular Formula: C15H14BrNS2Molecular Weight: 352.312360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JPBFXRQTJYRSNC-UHFFFAOYSA-N

• 3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester
IUPAC Name: (4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone | CAS Registry Number: 883738-38-3
Synonyms: 3-(4-methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester, 3-(4-Methyl-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester, (4-Methylpiperazin-1-yl)(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone, n-(4-methylpiperazine)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, n-(4-methylpiperazine)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzamide, AC1MC1RA, SureCN585882, AMTB046, CTK8B3402, MolPort-000-157-458, MAY00009, ANW-42469, AKOS015960072, AB22759, (4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone, AK-94803, KB-27168, A-9082, N-(4-Methyl-piperazine)-3-(4,4,5,5-tetramethyl-, [3-(4-Methylpiperazine-1-carbonyl)phenyl]boronic acid pinacol ester

Molecular Formula: C18H27BN2O3Molecular Weight: 330.229580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZYDMNNQZEUSDGG-UHFFFAOYSA-N

• 3-Acetylphenylacetylene
IUPAC Name: 1-(3-ethynylphenyl)ethanone | CAS Registry Number: 139697-98-6
Synonyms: 1-(3-Ethynyl-phenyl)-ethanone, SBB008830, FS001807

Molecular Formula: C10H8OMolecular Weight: 144.169920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UVDLFLCDFUZLBZ-UHFFFAOYSA-N

• 3-Amino-1-Boc-pyrrolidine
IUPAC Name: tert-butyl 3-aminopyrrolidine-1-carboxylate | CAS Registry Number: 186550-13-0
Synonyms: 1-Boc-3-aminopyrrolidine, C-3153

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CMIBWIAICVBURI-UHFFFAOYSA-N

• 3-Amino-4-Pyridazinecarboxylic Acid
IUPAC Name: 3-aminopyridazine-4-carboxylate | CAS Registry Number: 21141-03-7
Synonyms: ZINC04202687

Molecular Formula: C5H4N3O2-Molecular Weight: 138.104160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KCOOFYQDXAMIBZ-UHFFFAOYSA-M

• 3-aminomethyl-azetidine-1-carboxylic Acid Tert-butyl Ester
IUPAC Name: tert-butyl 3-(aminomethyl)azetidine-1-carboxylate | CAS Registry Number: 325775-44-8
Synonyms: 1-Boc-3-Aminomethylazetidine, 1-Boc-3-aminomethyl-azetidine, TL8002464, C-3183

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XSJPKMUFBHSIRA-UHFFFAOYSA-N

• 3-Azetanecarboxylic acid
IUPAC Name: azetidine-3-carboxylic acid | CAS Registry Number: 36476-78-5
Synonyms: 3-Carboxyazetidine, 3-Azetidinecarboxylic acid, Caswell No. 063C, Azetidine-3-carboxylic acid, CHA-811, 391131_ALDRICH, EPA Pesticide Chemical Code 128830, BRN 0385928, AL392-1, MS-0192, LS-23064, TL8002689, 5-22-01-00023 (Beilstein Handbook Reference)

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GFZWHAAOIVMHOI-UHFFFAOYSA-N

• 3-Bromo-2-fluorobenzoic acid
IUPAC Name: 3-bromo-2-fluorobenzoic acid | CAS Registry Number: 161957-56-8
Synonyms: 3-bromo-2-fluoro-benzoic Acid, 3-Bromo-2-fluorobenzoicacid, SBB062988, PubChem1318, ACMC-209dnk, SureCN146386, AC1MC5B0, AC1Q73JX, KSC174S7R, 2-Fluoro-3-bromo benzoic acid, Jsp003235, Benzoicacid, 3-bromo-2-fluoro-, CTK0H4978, ATTERCOP-CHM AT123987, BUTTPARK 14\01-30, MolPort-000-152-033, WT308, ACN-S004081, ACT00905, ANW-21966

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

InChIKey: UVKURTLVTLRSSM-UHFFFAOYSA-N

• 3-Bromo-2-Fluoropyridine-5-Carboxylic Acid
IUPAC Name: 5-bromo-6-fluoropyridine-3-carboxylic acid | CAS Registry Number: 29241-63-2
Synonyms: 5-bromo-6-fluoronicotinic acid, 6-FLUORO-5-BROMONICOTINIC ACID, PubChem21829, SureCN487804, KSC199M6J, CTK0J9664, MolPort-004-968-945, ACT08678, ANW-61291, AKOS005255573, AG-E-95120, AK-49660, EN000548, KB-42406, Nicotinicacid, 5-bromo-6-fluoro- (8CI), 3-Pyridinecarboxylicacid, 5-bromo-6-fluoro-, FT-0688200, A26262, I14-20239

Molecular Formula: C6H3BrFNO2Molecular Weight: 219.995923 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VZBMIACXKWJDNS-UHFFFAOYSA-N

• 3-Bromophenylacetic acid
IUPAC Name: 2-(3-bromophenyl)acetic acid | CAS Registry Number: 1878-67-7
Synonyms: M-BROMOPHENYLACETIC ACID, Benzeneacetic acid, 3-bromo-, (3-Bromophenyl)acetic acid, 288861_ALDRICH, CID74653, EINECS 217-522-1, FS000812, TL806174, ST5306960

Molecular Formula: C8H7BrO2Molecular Weight: 215.043980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KYNNBXCGXUOREX-UHFFFAOYSA-N

• 3-Cyano-4-(trifluoromethyl)pyridine
IUPAC Name: 4-(trifluoromethyl)pyridine-3-carbonitrile | CAS Registry Number: 13600-43-6
Synonyms: 4-(trifluoromethyl)nicotinonitrile, 4-(trifluoromethyl)pyridine-3-carbonitrile, 4-Trifluoromethyl-3-pyridinenitrile, SBB055517, AG-D-73531, ZINC00163228, PubChem9232, SureCN507128, AC1MC68I, SureCN11290617, KSC495C9T, Jsp002180, 4-Trifluoromethyl-nicotinonitrile, CTK3J5199, 4-(Trifluoromethyl)nicotinonitril, MolPort-000-145-609, ACT10403, ANW-51318, CL0200, WT2140

Molecular Formula: C7H3F3N2Molecular Weight: 172.107330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DHIRCRHQLUNYDS-UHFFFAOYSA-N

• 3-formyl-azetidine-1-carboxylic Acid Tert-butyl Ester
IUPAC Name: tert-butyl 3-formylazetidine-1-carboxylate | CAS Registry Number: 177947-96-5
Synonyms: 1-Boc-3-azetidinecarboxaldehyde, C-3190

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

InChIKey: JVQOZRRUGOADSU-UHFFFAOYSA-N

• 3-formyl-piperidine-1-carboxylic Acid Tert-butyl Ester
IUPAC Name: tert-butyl 3-formylpiperidine-1-carboxylate | CAS Registry Number: 118156-93-7
Synonyms: 1-Boc-3-piperidinecarboxaldehyde, C-3133

Molecular Formula: C11H19NO3Molecular Weight: 213.273460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CTVHINDANRPFIL-UHFFFAOYSA-N

• 3-hydrazinotetrahydrothiophene-1-dioxide Hydrochloride
IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl]hydrazine hydrochloride | CAS Registry Number: 1004-15-5
Synonyms: 3-SULFOLANYL HYDRAZINE HCL

Molecular Formula: C4H11ClN2O2SMolecular Weight: 186.660340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: JJAQVUUCQRGKIM-WCCKRBBISA-N

• 3-Hydroxy-1-Adamantaneacetic Acid
IUPAC Name: 2-(3-hydroxy-1-adamantyl)acetic acid | CAS Registry Number: 17768-36-4
Synonyms: Enamine_000851, Oprea1_388510, Oprea1_592442, 3-Hydroxyadamantane-1-acetic acid, NSC252898, 678651_ALDRICH, (3-hydroxy-1-adamantyl)acetic acid, 1-Hydroxy-3-adamantaneacetic acid, 3-Hydroxy-1-adamantaneacetic acid, 3-Hydroxy-1-(carboxymethyl)adamantane, ALBB-007393, 1-Adamantaneacetic acid, 3-hydroxy-, SDCCGMLS-0064531.P001, (3-Hydroxy-adamantan-1-yl)-acetic acid, BAS 10152803, FS011397, ST5202974, 3-Hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid, Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-hydroxy-

Molecular Formula: C12H18O3Molecular Weight: 210.269520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JFMDWSCOQLUOCZ-UHFFFAOYSA-N

• 3-Isothiazolecarboxylic Acid
IUPAC Name: 1,2-thiazole-3-carboxylic acid | CAS Registry Number: 4576-90-3
Synonyms: 3-Isothiazolecarboxylic acid, Isothiazole-3-carboxylic acid, 3-Carboxyisothiazole, 1,2-thiazole-3-carboxylic acid, isothiazolecarboxylic acid, AC1LBJVZ, PubChem22100, AC1Q5UHD, 3-Isothiazolecarboxylicacid, SureCN675975, Isothiazole-3-carboxylic acid;, CTK1D5588, MolPort-004-968-890, ANW-74235, AR-1J2840, WTI-11900, AKOS006283195, AG-K-61160, PB34433, QC-1139

Molecular Formula: C4H3NO2SMolecular Weight: 129.137120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BMPVWNJQCJQBFW-UHFFFAOYSA-N

• 3-Methylenecyclobutanecarbonitrile
IUPAC Name: 3-methylidenecyclobutane-1-carbonitrile | CAS Registry Number: 15760-35-7
Synonyms: 3-Methylenecyanocyclobutane, 3-Methylenecyclobutanenitrile, USAF A-18103, 3-Methylenecyclobutane carbonitrile, BRN 2038614, 3-Methylenecyclobutane-carbonitrile, CID27474, ZINC02018664, SB02040, CYCLOBUTANECARBONITRILE, 3-METHYLENE-, LS-55834, 4-09-00-00111 (Beilstein Handbook Reference)

Molecular Formula: C6H7NMolecular Weight: 93.126480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZRWMAMOBIQQJSA-UHFFFAOYSA-N

• 3-oxocyclobutanecarboxylic acid
IUPAC Name: 3-oxocyclobutane-1-carboxylic acid | CAS Registry Number: 23761-23-1
Synonyms: 3-oxo-Cyclobutanecarboxylic acid, 3-oxocyclobutane-1-carboxylic Acid, Cyclobutanecarboxylic acid, 3-oxo-, 1-Carboxy-3-oxocyclobutane, 3-Oxocyclobutanecarboxylicacid, AC1NKHBV, PubChem14220, ACMC-1CAK7, SureCN301495, AC1Q74AU, AC1Q74AV, KSC201Q6H, 3-Oxo-Cyclobutanecarboxylicacid, Jsp004753, CTK1A1863, 3-oxo-cyclobutane carboxylic acid, MolPort-000-876-904, BB_SC-7711, HT005, ACN-S001328

Molecular Formula: C5H6O3Molecular Weight: 114.099340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IENOFRJPUPTEMI-UHFFFAOYSA-N

• 3-Piperazin-1-Yl-Pyridazine Hydrochloride
IUPAC Name: 3-piperazin-1-ylpyridazine;dihydrochloride | CAS Registry Number: 90434-90-5
Synonyms: 3-Piperazin-1-ylpyridazine dihydrochloride, 3-PIPERAZIN-1-YL-PYRIDAZINE DIHYDROCHLORIDE, SBB055935, AGN-PC-01NP23, CTK7D1690, MolPort-000-149-834, AKOS015969246, AG-B-97797, KB-87982, 3-piperazin-1-ylpyridazine;dihydrochloride, 3-(1-piperazinyl)pyridazine dihydrochloride, 3-piperazinylpyridazine, chloride, chloride, A843550

Molecular Formula: C8H14Cl2N4Molecular Weight: 237.129560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: HGGXFAZMLILKDT-UHFFFAOYSA-N

• 3-Pyridineacetonitrile, 5-bromo-
IUPAC Name: 2-(5-bromopyridin-3-yl)acetonitrile | CAS Registry Number: 39891-08-2
Synonyms: 5-Bromo-3-pyridineacetonitrile, FS000726

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NGSJXAQHUJFHEF-UHFFFAOYSA-N

• 4,5-Diamino-2-Chloropyrimidine
IUPAC Name: 2-chloropyrimidine-4,5-diamine | CAS Registry Number: 14631-08-4
Synonyms: 2-Chloro-4,5-diaminopyrimidine, 4,5-Pyrimidinediamine, 2-chloro-, 2-Chloropyrimidine-4,5-diamine, NSC45754, 2-chloro-4,5-diamino-pyrimidine, Pyrimidine, 4,5-diamino-2-chloro-, MolPort-000-002-461, CID84565, AKI-BBV-00012523, EINECS 238-672-4, ZINC01677559, AI3-52054, C16451, AC-907/25004294, I03-0256

Molecular Formula: C4H5ClN4Molecular Weight: 144.562300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QDUJVEOOSNUDDW-UHFFFAOYSA-N

• 4-(3-Ethoxycarbonylpiperidine)carbox-amidophenylboronic acid, pinacol ester
IUPAC Name: ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate | CAS Registry Number: 850411-14-2
Synonyms: 4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol ester, 1-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZOYL]-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER, ETHYL 1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOYL]PIPERIDINE-3-CARBOXYLATE, 4-[3-Ethoxycarbonyl-1-piperidinylcarbonyl]benzeneboronic acid pinacol ester, 4-(3-ETHOXYCARBONYL-1-PIPERIDINYLCARBONYL)BENZENEBORONIC ACID PINACOL ESTER, Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)piperidine-3-carboxylate, AGN-PC-01NOTT, AMTB023, CTK6F6791, MolPort-000-150-090, MAY00036, ANW-42254, AKOS015960126, AB25668, AG-A-17407, AK-85543, KB-34085, B-5310, 4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid pinacol ester, 4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol ester,

Molecular Formula: C21H30BNO5Molecular Weight: 387.277600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YQADGHATUTVIEA-UHFFFAOYSA-N

• 4-acetylphenylacetylene
IUPAC Name: 1-(4-ethynylphenyl)ethanone | CAS Registry Number: 42472-69-5
Synonyms: 1-(4-ethynylphenyl)ethanone, 1-(4-Ethynyl-phenyl)-ethanone, SBB008828, FS001806

Molecular Formula: C10H8OMolecular Weight: 144.169920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WHFPFLKZXFBCSO-UHFFFAOYSA-N

• 4-Aminomethyltetrahydropyran
IUPAC Name: oxan-4-ylmethanamine | CAS Registry Number: 130290-79-8
Synonyms: 4-aminomethyltetrahydropyran, ALBB-005330, ZERO/008487, 1-tetrahydro-2H-pyran-4-ylmethanamine, TL8000719

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IPBPLHNLRKRLPJ-UHFFFAOYSA-N

• 4-Bromo-2-Pyridin-3-Yl-Pent-4-Enenitrile
IUPAC Name: 4-bromo-2-pyridin-3-ylpent-4-enenitrile | CAS Registry Number: 850349-68-7
Synonyms: MolPort-000-150-197, FS011414, 4-Bromo-2-pyridin-3-yl-pent-4-enenitrile

Molecular Formula: C10H9BrN2Molecular Weight: 237.095860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YXBBAPOCHWTZHH-UHFFFAOYSA-N

• 4-Bromophenacyl bromide
IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone | CAS Registry Number: 99-73-0
Synonyms: 2,4'-Dibromoacetophenone, bromophenacylbromide, p-Bromophenacyl bromide, p-Bromophenacyl-8, bromophenacyl bromide, TPK I Inhibitor, PBPAB, 2,4-dibromoacetophenone, Parabromophenacyl bromide, Acetophenone, 2,4'-dibromo-, alpha,p-Dibromoacetophenone, alpha,4-Dibromoacetophenone, 4-Bromo(bromoacetyl)benzene, 4'-Bromophenacyl bromide, C8H6Br2O, alpha-para-dibromoacetophenone, GSK-3beta Inhibitor VII, WLN: E1VR DE, alpha-4-Dibromoacetophenone, 2,4'-Dibromo-acetophenone

Molecular Formula: C8H6Br2OMolecular Weight: 277.940640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FKJSFKCZZIXQIP-UHFFFAOYSA-N

• 4-Chloro-3-pyridylcarbinol
IUPAC Name: (4-chloropyridin-3-yl)methanol | CAS Registry Number: 189449-41-0
Synonyms: (4-chloropyridin-3-yl)methanol, (4-chloro-3-pyridinyl) methanol, (4-chloro-3-pyridinyl)methanol, PubChem12981, AC1L8YRQ, SureCN1261879, 3-Pyridinemethanol,4-chloro-, Jsp003895, CTK4E0139, MolPort-003-987-836, (4-Chloro-pyridin-3-yl)-methanol, 4-Chloro-3-(hydroxymethyl)pyridine, ACT07419, ANW-74841, ZINC01585512, AKOS006345297, AC-1847, AG-E-38340, OR13855, QC-9111

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FYKNUGKDTZRYJM-UHFFFAOYSA-N

• 4-Cyanoindole
IUPAC Name: 1H-indole-4-carbonitrile | CAS Registry Number: 16136-52-0
Synonyms: 1H-indole-4-carbonitrile, 645532_ALDRICH, ZINC02517173, ALBB-004773, ZERO/009590, CID3817602, C-8800

Molecular Formula: C9H6N2Molecular Weight: 142.157340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CEUFGDDOMXCXFW-UHFFFAOYSA-N

• 4-Difluoromethoxy-3-methoxy-benzaldehyde
IUPAC Name: 4-(difluoromethoxy)-3-methoxybenzaldehyde | CAS Registry Number: 162401-70-9
Synonyms: ZINC02529890, ALBB-000249, SBB009330, CID3161249, 4-(difluoromethoxy)-3-methoxybenzaldehyde, BAS 11524503, FS000741

Molecular Formula: C9H8F2O3Molecular Weight: 202.154826 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KGPOVKAYCXTCQS-UHFFFAOYSA-N

• 4-Dimethoxymethyl-2-Trifluoromethyl-Pyrimidine
IUPAC Name: 4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine | CAS Registry Number: 878760-47-5
Synonyms: MolPort-001-777-538, ZINC02546979, 4-Dimethoxymethyl-2-trifluoromethyl-pyrimidine, FS020011, HC210452

Molecular Formula: C8H9F3N2O2Molecular Weight: 222.164470 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: CHSZUWDVGYPDPG-UHFFFAOYSA-N

• 4-Methoxycarbonylphenylboronic Acid
IUPAC Name: (4-methoxycarbonylphenyl)boronic acid | CAS Registry Number: 99768-12-4
Synonyms: Methyl 4-boronobenzoate, 594539_ALDRICH, (4-Methoxycarbonylphenyl)boronic acid, 4-Methoxycarbonylphenylboronic acid, ALBB-006125, 4-(Methoxycarbonyl)phenylboronic acid, FS000893, ST5405973, TL8006078

Molecular Formula: C8H9BO4Molecular Weight: 179.965660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PQCXFUXRTRESBD-UHFFFAOYSA-N

• 4-Piperazinylphenylboronic acid, pinacol ester
IUPAC Name: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine | CAS Registry Number: 912369-50-7
Synonyms: 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine, PubChem22033, SureCN1887349, AGN-PC-01LR24, CTK8B3099, MolPort-002-054-997, BM241, MAY00015, ANW-41773, AKOS015960109, AB29167, AK129329, KB-08840, 4-Piperazinylphenylboronic acid pinacol ester, 4-Piperazinylphenylboronic acid, pinacol ester,, B-4811, 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine

Molecular Formula: C16H25BN2O2Molecular Weight: 288.192900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KARUXRFAVXKQFZ-UHFFFAOYSA-N

• 5-(6-Bromobenzo[d][1,3]dioxol-5-Yl)oxazole
IUPAC Name: 5-(6-bromo-1,3-benzodioxol-5-yl)-1,3-oxazole | CAS Registry Number: 850349-74-5
Synonyms: MolPort-000-150-236, ZINC15042752, FS011465, 5-(6-Bromo-1,3-benzodioxol-5-yl)-1,3-oxazole

Molecular Formula: C10H6BrNO3Molecular Weight: 268.063540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YRJFKTRWPSURIN-UHFFFAOYSA-N

• 5-Aminothiophene-2-carboxylic acid methyl ester
IUPAC Name: methyl 5-aminothiophene-2-carboxylate | CAS Registry Number: 14597-58-1
Synonyms: MolPort-000-876-861, ZINC04219053, ZERO/008433, Methyl 5-aminothiophene-2-carboxylate, CID7131725, FS000317

Molecular Formula: C6H7NO2SMolecular Weight: 157.190280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NNQTUMGJWXJMIR-UHFFFAOYSA-N

• 5-Bromo-2-(2,2,3,3,3-Pentafluoropropoxy)Pyridine
IUPAC Name: 5-bromo-2-(2,2,3,3,3-pentafluoropropoxy)pyridine | CAS Registry Number: 850349-84-7
Synonyms: MolPort-000-150-250, ZINC15042807, FS011479, 5-Bromo-2-(2,2,3,3,3-pentafluoropropoxy)pyridine

Molecular Formula: C8H5BrF5NOMolecular Weight: 306.027416 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: MLANNPIADNEBIY-UHFFFAOYSA-N

• 5-Bromo-4-Methylpyridine-2,3-Diamine
IUPAC Name: 5-bromo-4-methylpyridine-2,3-diamine | CAS Registry Number: 41230-93-7
Synonyms: 5-bromo-4-methylpyridine-2,3-diamine, 2,3-Diamino-5-bromo-4-picoline, 5-Bromo-2,3-diamino-4-methylpyridine, PubChem5379, SureCN203669, CTK4I4466, MolPort-003-984-213, ANW-50910, SBB070405, ZINC21981768, AKOS015833895, AG-F-46688, BCP9000070, PB25025, QC-4101, RP25921, 2,3-Pyridinediamine,5-bromo-4-methyl-, AK-30006, BR-30006, 5-bromanyl-4-methyl-pyridine-2,3-diamine

Molecular Formula: C6H8BrN3Molecular Weight: 202.051820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FYWHWEYTENZRRF-UHFFFAOYSA-N

• 5-Bromo-N-(4-Ethoxybenzyl)pyridin-2-Amine
IUPAC Name: 5-bromo-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine | CAS Registry Number: 850349-90-5
Synonyms: MolPort-000-150-253, FS011482, 5-Bromo-N-(4-ethoxybenzyl)pyridin-2-amine

Molecular Formula: C14H15BrN2OMolecular Weight: 307.185700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SDQPBUJGHFETFV-UHFFFAOYSA-N

• 5-Bromo-N-Hexylpyridin-2-Amine
IUPAC Name: 5-bromo-N-hexylpyridin-2-amine | CAS Registry Number: 850349-96-1
Synonyms: 5-bromo-N-hexylpyridin-2-amine, MolPort-000-150-335, FS000994

Molecular Formula: C11H17BrN2Molecular Weight: 257.170080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CLBBDEGBRCDYEE-UHFFFAOYSA-N

• 5-Chloro-3-pyridinemethanol
IUPAC Name: (5-chloropyridin-3-yl)methanol | CAS Registry Number: 22620-34-4
Synonyms: (5-chloro-3-pyridinyl)methanol, (5-chloropyridin-3-yl)methanol, (5-chloro-3-pyridinyl) methanol, (5-Chloro-pyridin-3-yl)-methanol, AG-E-64759, PubChem12982, SureCN693319, 3-Pyridinemethanol,5-chloro-, Jsp004587, CTK4E9840, MolPort-003-987-837, ACT07609, ANW-52393, RW2857, ZINC21303204, AKOS006331870, AC-3568, QC-2253, RP01381, (5-CHLORO-PYRIDIN-3-YL)METHANOL

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ALUCWNPKIRQBEF-UHFFFAOYSA-N


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