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Carbocore, Inc.

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Web: http://www.carbocore.com
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Address: P.O. Box 131508, The Woodlands, Texas 77393-1508, USA
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Profile: Carbocore, Inc. is a provider of specialty chemicals. We specialize in the custom synthesis of various organic and organometallic products. We handle R&D projects in the areas such as organic intermediates, fine chemicals, deuterated organics and organometallic monomers/polymers. Our organic synthons include acetophenones, aliphatics, aromatics, chromones, flavones, indoles, isoflavones, piperidines, purines, pyridines and thiophenes.

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• 2-Chloro-5-fluoropyridine
IUPAC Name: 2-chloro-5-fluoropyridine | CAS Registry Number: 31301-51-6
Synonyms: Ambap7054, 2-Chloro-5-Fluoro Pyridine, TPC-PY082, 643556_ALDRICH, ZINC02384133, CID2782801, TL8002387

Molecular Formula: C5H3ClFNMolecular Weight: 131.535423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QOGXQLSFJCIDNY-UHFFFAOYSA-N

• 2-Amino-4-methylbenzoic acid
IUPAC Name: 2-amino-4-methylbenzoic acid | CAS Registry Number: 2305-36-4
Synonyms: 4-methylanthranilate, p-Toluic acid, 2-amino-, 4-Methylanthranilic acid, 4 - methylanthranilic acid, Benzoic acid, 2-amino-4-methyl-, NSC39155, EINECS 218-976-3, CPD0-1489, TL 00555

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RPGKFFKUTVJVPY-UHFFFAOYSA-N

• 2-Amino-6-hydroxypyridine
IUPAC Name: 6-amino-1H-pyridin-2-one | CAS Registry Number: 5154-00-7
Synonyms: 6-Aminopyridin-2-ol, 6-Amino-2-pyridinol, 2-Pyridinol, 6-amino-, 6-Amino-2(1H)-pyridone, NSC60205, EINECS 261-697-7, ZINC00334967, 2-Pyridinol, 5-amino-, conjugate monoacid, AJ-333/25006202, 59315-47-8, 59315-50-3

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

InChIKey: DMIHQARPYPNHJD-UHFFFAOYSA-N

• 3-furylmethylamine
IUPAC Name: furan-3-ylmethanamine | CAS Registry Number: 4543-47-9
Synonyms: furan-3-ylmethanamine, 3-FURYLMETHYLAMINE, 3-(Aminomethyl)furan, 3-Furanmethanamine, AC1MCQSE, (Fur-3-yl)methylamine, Furan-3-Yl-Methanamine, SureCN656544, AC1Q543A, AC1Q543B, CTK1D5473, MolPort-000-142-223, ANW-72241, SBB079084, AKOS000169495, AG-C-11722, AG-F-57863, CC02113, MCULE-2572059213, RP00398

Molecular Formula: C5H7NOMolecular Weight: 97.115180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XNABHFLZYMCJHE-UHFFFAOYSA-N

• 1-(2-Pyrimidinyl)Piperidine-4-Methanol
IUPAC Name: (1-pyrimidin-2-ylpiperidin-4-yl)methanol | CAS Registry Number: 111247-61-1
Synonyms: SBB054840, 1-(Pyrimidin-2yl)piperidin-4-ylmethanol, 4-Piperidinemethanol,1-(2-pyrimidinyl)-, (1-pyrimidin-2-ylpiperidin-4-yl)methanol, [1-(2-Pyrimidinyl)-4-piperidinyl]methanol, (1-(Pyrimidin-2-yl)piperidin-4-yl)methanol, [1-(pyrimidin-2-yl)piperidin-4-yl]methanol, ZINC00158945, ACMC-1BTOT, SureCN460460, AC1MCR16, CTK4A7256, MolPort-001-762-750, AKOS009157639, AG-D-29452, RP03918, SDCCGMLS-0066028.P001, KB-81649, KB-143889, (1-pyrimidin-2-yl-4-piperidyl)methan-1-ol

Molecular Formula: C10H15N3OMolecular Weight: 193.245600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZUNGTEUNVMHDIX-UHFFFAOYSA-N

• 4-(1H-Imidazol-1-yl)aniline
IUPAC Name: 4-imidazol-1-ylaniline | CAS Registry Number: 2221-00-3
Synonyms: Maybridge3_005125, 4-(1H-imidazol-1-yl)aniline, MLS000047663, 444391_ALDRICH, 1-(4-Aminophenyl)-1H-imidazole, 4-(1H-imidazol-1-yl)phenylamine, NSC266462, ZINC00077202, benzenamine, 4-(1H-imidazol-1-yl)-, IDI1_016512, SMR000033673, ST5210989, SR-01000607308-2, InChI=1/C9H9N3/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H

Molecular Formula: C9H9N3Molecular Weight: 159.187860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LVOASPZGXNAHJI-UHFFFAOYSA-N

• 2-Chlorobenzimidazole
IUPAC Name: 2-chloro-1H-benzimidazole | CAS Registry Number: 4857-06-1
Synonyms: 1H-Benzimidazole, 2-chloro-, Benzimidazole, 2-chloro-, 2-Chloro-1H-benzimidazole, 592277_ALDRICH, NSC111358, CID78572, EINECS 225-453-3, SBB006585, ZINC00152282, NSC 111358, InChI=1/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AYPSHJCKSDNETA-UHFFFAOYSA-N

• 2-Amino-3-Fluoropyridine
IUPAC Name: 3-fluoropyridin-2-amine | CAS Registry Number: 21717-95-3
Synonyms: 2-Amino-3-fluoropyridine, 3-fluoropyridin-2-amine, 3-fluoro-2-pyridylamine, 3-fluoro-pyridin-2-ylamine, SBB051797, AG-E-59018, PubChem2976, ACMC-209fng, AC1MC7DG, 3-Fluoropyridin-2-ylamine, SureCN309925, SureCN3949080, KSC497I6H, Jsp004414, 3-FLUORO-2-PYRIDINAMINE, CTK3J7463, 3-FLUORO-2-AMINOPYRIDINE, MolPort-003-824-044, BH357, ACN-S003634

Molecular Formula: C5H5FN2Molecular Weight: 112.105003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WWEINXQNCAWBPD-UHFFFAOYSA-N

• 2-Chloro-4-Pyridine Carbonitrile
IUPAC Name: 2-chloropyridine-4-carbonitrile | CAS Registry Number: 33252-30-1
Synonyms: 2-Chloro-4-cyanopyridine, 4-Cyano-2-chloropyridine, 2-Chloro-isonicotinonitrile, 548227_ALDRICH, 2-Chloro-4-pyridinecarbonitrile, 2-Chloropyridine-4-carbonitrile, 4-Pyridinecarbonitrile, 2-chloro-, ZINC00154100, FS000570, TL806404, 1Y-0715, AC-907/30003049

Molecular Formula: C6H3ClN2Molecular Weight: 138.554420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N

• 3,5-Dibromobenzonitrile
IUPAC Name: 3,5-dibromobenzonitrile | CAS Registry Number: 97165-77-0
Synonyms: 3,5-dibromobenzonitrile, SBB055510, 3,5-dibromobenzenecarbonitrile, ZINC00109929, PubChem3862, AC1MDYF0, Maybridge1_007794, SureCN200313, KSC493G8P, CTK3J3387, HMS563K06, MolPort-000-146-410, ANW-48599, RW3563, TD1139, WT1562, AKOS005259306, AG-H-96654, AS02391, BD23288

Molecular Formula: C7H3Br2NMolecular Weight: 260.913420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QUJGDNCWTBTBQD-UHFFFAOYSA-N

• 2-(bromomethyl)-1-Chloro-4-Fluorobenzene
IUPAC Name: 2-(bromomethyl)-1-chloro-4-fluorobenzene | CAS Registry Number: 81778-09-8
Synonyms: 2-Chloro-5-fluorobenzyl bromide, 556319_ALDRICH, JRD-1117, CID2773623, 2-(bromomethyl)-1-chloro-4-fluoro-benzene, TL8005435, S01-0196

Molecular Formula: C7H5BrClFMolecular Weight: 223.470003 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AUVLFQDKJFSFIX-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'-Amino-4'-methoxyacetophenone
IUPAC Name: 1-(2-amino-4-methoxyphenyl)ethanone | CAS Registry Number: 42465-53-2
Synonyms: 1-(2-amino-4-methoxyphenyl)ethanone, 2'-AMINO-4'-METHOXYACETOPHENONE, 2'amino-4'-methoxyacetophenone, 1-(2-amino-4-methoxy-phenyl)-ethanone, SureCN312677, CTK8B7826, ANW-58714, ZINC02539090, AKOS006294673, AG-F-50970, 1-(2-azanyl-4-methoxy-phenyl)ethanone, AK-75790, AM807186, KB-08200, FT-0080477, FT-0639792, A825907, I01-8471, F2158-1429, Acetophenone,2'-amino-4'-methoxy- (7CI);1-(2-Amino-4-methoxyphenyl)ethanone;4'-Methoxy-2'-aminoacetophenone;

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FOFUOGSRVUOROJ-UHFFFAOYSA-N

• 2-Amino-3,5-dibromo-4-methylpyridine
IUPAC Name: 3,5-dibromo-4-methylpyridin-2-amine | CAS Registry Number: 3430-29-3
Synonyms: 3,5-dibromo-4-methylpyridin-2-amine, 2-amino-3,5-dibromo-4-picoline, 3,5-dibromo-4-methyl-2-pyridinamine, AC-907/30003028, PubChem5549, AC1LG9OL, ACMC-209i6k, AC1Q25EY, SureCN2272554, CTK4H2106, MolPort-000-874-965, ANW-27834, AR-1E9532, SBB102971, ZINC19736835, 2-amino-3,5-dibromo-4-methylpridine, 3,5-dibromo-4-methyl-2-pyridylamine, AKOS002664309, AB09556, AG-B-92452

Molecular Formula: C6H6Br2N2Molecular Weight: 265.933240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LLGXZSVWYCKUBB-UHFFFAOYSA-N

• 2-Fluoro-3-methylpyridine
IUPAC Name: 2-fluoro-3-methylpyridine | CAS Registry Number: 2369-18-8
Synonyms: Ambap559, 2-Fluoro-3-picoline, 533246_ALDRICH, NSC51591, CID242722, ZINC00403518, TL8001958

Molecular Formula: C6H6FNMolecular Weight: 111.116943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PHGXUFPYCAWEHK-UHFFFAOYSA-N

• 3-Amino-6-fluoro-2-picoline
IUPAC Name: 6-fluoro-2-methylpyridin-3-amine | CAS Registry Number: 28489-47-6
Synonyms: 3-amino-6-fluoro-2-picoline, 3-Amino-6-fluoro-2-methylpyridine, 6-fluoro-2-methylpyridin-3-amine, 2-fluoro-5-amino-6-picoline, 5-amino-2-fluoro-6-methylpyridine, 3-Amino-6-fluoropicoline, 5-amino-2-fluoro-6-picoline, 6-fluoro-2-methyl-3-pyridylamine, SBB069832, PubChem1131, SureCN2067821, CTK7B9621, MolPort-000-140-044, ANW-42861, ZINC02383956, AKOS005063653, AG-C-78446, AG-E-91577, TF10681, 2-PICOLINE, 3-AMINO-6-FLUORO-

Molecular Formula: C6H7FN2Molecular Weight: 126.131583 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XXWLHILHNANUFH-UHFFFAOYSA-N

• 2-Chloro-5-trifluoromethylbenzonitrile
IUPAC Name: 2-chloro-5-(trifluoromethyl)benzonitrile | CAS Registry Number: 328-87-0
Synonyms: NCIOpen2_005388, 365793_ALDRICH, 2-Chloro-5-(trifluoromethyl)benzonitrile, 4-Chloro-3-cyanobenzotrifluoride, NSC88338, EINECS 206-338-7, NSC 88338, ZINC00155322, Benzonitrile, 2-chloro-5-(trifluoromethyl)-, ST5307059, TL8002481, 3S103157

Molecular Formula: C8H3ClF3NMolecular Weight: 205.564330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LCISFYAQKHOWBP-UHFFFAOYSA-N

• 3-Methoxypyridine-2-carboxaldehyde
IUPAC Name: 3-methoxypyridine-2-carbaldehyde | CAS Registry Number: 1849-53-2
Synonyms: 3-methoxypyridine-2-carbaldehyde, 3-Methoxy-pyridinecarboxaldehyde, 3-METHOXY-PYRIDINE-2-CARBALDEHYDE, 3-Methoxypicolinaldehyde, 3-methoxy-2-pyridinecarboxaldehyde, SBB052245, AG-E-34370, ACMC-209ema, AC1NT5M6, 3-methoxy-2-pyridinecarbaldehyde, CTK4D8866, MolPort-000-140-126, ACT08685, 2-Pyridinecarboxaldehyde,3-methoxy-, ANW-23216, ZINC02548007, AKOS006282514, AB22246, MCULE-1019662262, RP20351

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

InChIKey: GHKILJGWQPBQGL-UHFFFAOYSA-N

• 2-Amino-6-chlorobenzimidazole
IUPAC Name: 6-chloro-1H-benzimidazol-2-amine | CAS Registry Number: 5418-93-9
Synonyms: 2-Amino-5-chlorobenzimidazole, 5-Chloro-2-aminobenzimidazole, CCRIS 4359, Benzimidazole, 2-amino-6-chloro-, Oprea1_317702, Oprea1_834530, 1H-Benzimidazol-2-amine, 5-chloro-, TOS-BB-1117, NSC 10545, 5-chloro-1H-benzimidazol-2-amine, BENZIMIDAZOLE, 2-AMINO-5-CHLORO-, NSC10545, 5-chloro-1H-benzimidazol-2-ylamine, ZINC00338326, 5-Chloro-1H-benzoimidazol-2-ylamine, BAS 00399707, LS-32620, ST5227505

Molecular Formula: C7H6ClN3Molecular Weight: 167.595640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PDOCNPCPPLPXRV-UHFFFAOYSA-N

• 5-Methyl-2-pyrazinemethanamine
IUPAC Name: (5-methylpyrazin-2-yl)methanamine | CAS Registry Number: 132664-85-8
Synonyms: 2-(Aminomethyl)-5-methylpyrazine, (5-methylpyrazin-2-yl)methanamine, (5-methylpyrazin-2-yl)methylamine, 5-methyl-2-pyrazinemethanamine, SBB052489, AG-D-66389, c-(5-methyl-pyrazin-2-yl)-methylamine, AC1MBTPI, ACMC-209bpq, SureCN5476, AC1Q2OGL, 2-aminomethyl-5-methylpyrazine, CTK3J4699, MolPort-000-151-136, (5-methyl-2-pyrazinyl)methanamine, ANW-19452, AKOS000163889, PB33936, RP08842, 2-(Aminomethyl)-5-methyl-1,4-diazine

Molecular Formula: C6H9N3Molecular Weight: 123.155760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N

• 2-Bromo-1-Benzofuran
IUPAC Name: 2-bromo-1-benzofuran | CAS Registry Number: 54008-77-4
Synonyms: 2-bromobenzofuran, 2-bromo-1-benzofuran, 2-Bromobenzo[b]furan, AG-F-86436, ZINC00158632, Benzofuran, 2-bromo-, PubChem13460, 2-bromanyl-1-benzofuran, AC1MCQU7, SureCN594981, 2-BROMO-1-BENZOFURANE, CTK1G9047, MolPort-000-142-331, AC1Q2593, ANW-47878, SBB092093, AKOS006230692, CC06610, MB02457, RP04080

Molecular Formula: C8H5BrOMolecular Weight: 197.028700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RNEOFIVNTNLSEH-UHFFFAOYSA-N

• 1-[3-Amino-5-(4-chlorophenyl)-2-thienyl]ethan-1-one
IUPAC Name: 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone | CAS Registry Number: 175137-02-7
Synonyms: 1-[3-amino-5-(4-chlorophenyl)-2-thienyl]ethan-1-one, 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone, ZINC00080698, AC1MCRR7, SureCN5362627, MLS000851465, CTK4D5316, MolPort-000-144-358, HMS2791I21, SBB101021, AKOS015908654, AG-E-24937, GK00604, KB-64769, SMR000457908, FT-0607121, 2-acetyl-3-amino-5-(4-chlorophenyl)thiophene, Ethanone,1-[3-amino-5-(4-chlorophenyl)-2-thienyl]-, I14-35204, 1-[3-AMINO-5-(4-CHLOROPHENYL)-2-THIENYL]ETHAN-1-ONE;2-ACETYL-3-AMINO-5-(4-CHLOROPHENYL)THIOPHENE

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

InChIKey: DLQVOIFYJQATMI-UHFFFAOYSA-N

• 6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile
IUPAC Name: 4-oxo-6-propan-2-ylchromene-3-carbonitrile | CAS Registry Number: 50743-32-3
Synonyms: 3-Cyano-6-isopropylchromone, 6-isopropyl-4-oxo-4h-chromene-3-carbonitrile, 6-Isopropyl-4-oxo-4H-1-benzopyran-3-carbonitrile, ZINC00155078, PubChem9705, AC1LEH60, AC1Q6DT2, SureCN8071003, CTK4J3088, MolPort-003-984-133, ACT08321, ANW-73284, AR-1H1945, SBB063689, AKOS015889666, AC-4712, AG-F-70886, MCULE-7620942696, AK105184, H346

Molecular Formula: C13H11NO2Molecular Weight: 213.231940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IMVAJLIIWCJMJP-UHFFFAOYSA-N

• 2,3,5-Trifluoropyridine
IUPAC Name: 2,3,5-trifluoropyridine | CAS Registry Number: 76469-41-5
Synonyms: ZINC02585569, CID2783287, T210, TL80073987, 3S105806, 3S210969

Molecular Formula: C5H2F3NMolecular Weight: 133.071290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JKVOXNTXYMXDHN-UHFFFAOYSA-N

• 2-Amino-3-Chloro Benzoic Acid
IUPAC Name: 2-amino-3-chlorobenzoic acid | CAS Registry Number: 6388-47-2
Synonyms: 2-Amino-3-chlorobenzoic acid, 3-Chloroanthranilic acid, Anthranilic acid, 3-chloro-, 362271_ALDRICH, Benzoic acid, 2-amino-3-chloro-, NSC20671, EINECS 228-996-4, SBB003844, TL8007342, InChI=1/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LWUAMROXVQLJKA-UHFFFAOYSA-N

• 3-(2-Thienyl)-1H-pyrazole-4-carbaldehyde
IUPAC Name: 5-thiophen-2-yl-1H-pyrazole-4-carbaldehyde | CAS Registry Number: 26033-27-2
Synonyms: ZERO/005236, ALBB-000094, CID737231, ZINC00165947, BAS 10141308, 3-thien-2-yl-1H-pyrazole-4-carbaldehyde, 3-Thiophen-2-yl-1H-pyrazole-4-carbaldehyde

Molecular Formula: C8H6N2OSMolecular Weight: 178.211040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DDQIKYLVCQKLHT-UHFFFAOYSA-N

• 2-Fluoro-6-Methoxyphenol
IUPAC Name: 2-fluoro-6-methoxyphenol | CAS Registry Number: 73943-41-6
Synonyms: 2-Fluoro-6-methoxyphenol, ZINC00389602, PubChem3878, ACMC-209osz, 2-Hydroxy-3-fluoroanisole, SureCN178550, 2-Fluoro-6-methoxy-phenol, 2-Fluoro-6-methoxyphenol,, AC1MC77A, Phenol,2-fluoro-6-methoxy-, 338575_ALDRICH, AC1Q468P, CTK5D8985, MolPort-001-773-642, ACT11791, ANW-36417, SBB086225, AKOS005259582, AG-G-93270, MCULE-7224049741

Molecular Formula: C7H7FO2Molecular Weight: 142.127683 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YZNHPLVFLRSVHY-UHFFFAOYSA-N

• 2-Chloro-5-fluoro-3-iodopyridine
IUPAC Name: 2-chloro-5-fluoro-3-iodopyridine | CAS Registry Number: 884494-33-1
Synonyms: 2-chloro-5-fluoro-3-iodopyridine, 2-Chloro-5-fluoro-3-iodo-pyridine, AG-H-56291, PubChem10593, AC1Q4N28, CTK5F9817, MolPort-002-041-217, 2-Chloro-5-fluoro-3-iodopyridine;, ANW-74180, ZINC02384084, Pyridine,2-chloro-5-fluoro-3-iodo-, AKOS015851139, AB13622, QC-7038, AK-80101, EN000982, KB-22461, 2-chloranyl-5-fluoranyl-3-iodanyl-pyridine, AB1005109, BB 0260322

Molecular Formula: C5H2ClFINMolecular Weight: 257.431953 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KNGPAZKKHRTDEM-UHFFFAOYSA-N

• 1-(3-Hydroxypropyl)-4-methylpiperazine
IUPAC Name: 3-(4-methylpiperazin-1-yl)propan-1-ol | CAS Registry Number: 5317-33-9
Synonyms: 4-Methyl-1-piperazinepropanol, 1-Piperazinepropanol, 4-methyl-, EINECS 226-177-6, NSC351986, 3-(4-Methyl-1-piperazine)propan-1-ol, 1-(3-Hydroxypropyl)-4-methyl-piperazine, SL-01902

Molecular Formula: C8H18N2OMolecular Weight: 158.241320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JKRSQNBRNIYETC-UHFFFAOYSA-N

• 1H-Indazol-3-amine, 6-bromo-
IUPAC Name: 6-bromo-1H-indazol-3-amine | CAS Registry Number: 404827-77-6
Synonyms: ZINC03883310, CID2786631, ST5401062

Molecular Formula: C7H6BrN3Molecular Weight: 212.046640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WLDHNAMVDBASAW-UHFFFAOYSA-N

• 2-Acetyl-3-Aminothiophene
IUPAC Name: 1-(3-aminothiophen-2-yl)ethanone | CAS Registry Number: 31968-33-9
Synonyms: 2-Acetyl-3-aminothiophene, 1-(3-aminothiophen-2-yl)ethanone, ZINC00159898, PubChem20830, AC1MC2US, SureCN1353374, ACMC-1CO94, 1-(3-aminothien-2-yl)ethanone, CTK4G7990, 2-ACETYLTHIOPHENE-3-AMINE, MolPort-000-144-346, 1-(3-amino-2-thiophenyl)ethanone, 1-(3-azanylthiophen-2-yl)ethanone, Ethanone,1-(3-amino-2-thienyl)-, ANW-57313, SBB028265, 1-(3-Aminothien-2-yl)ethan-1-one, AKOS006227971, AB02201, AG-A-13292

Molecular Formula: C6H7NOSMolecular Weight: 141.190880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MMLSKDGCLMDHAJ-UHFFFAOYSA-N

• 2-Methoxyisonicotinamide
IUPAC Name: 2-methoxypyridine-4-carboxamide | CAS Registry Number: 105612-50-8
Synonyms: 2-methoxypyridine-4-carboxamide, ZINC00126891, ACMC-1BRAB, AC1MCL1Y, 2-Methoxyisonicotinamide,, Maybridge3_007523, SureCN445784, Oprea1_751924, CTK4A3963, 2-Methoxypyridine-4-carboxamide;, 4-Pyridinecarboxamide,2-methoxy-, MolPort-000-146-738, HMS1452I07, SPB06368, ANW-15254, CCG-42864, SBB086833, AKOS006229420, AG-D-19304, IDI1_018910

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

InChIKey: OWHCHZOJASPGLJ-UHFFFAOYSA-N

• 2-Chloro-4-(trifluoromethyl)pyrimidine
IUPAC Name: 2-chloro-4-(trifluoromethyl)pyrimidine | CAS Registry Number: 33034-67-2
Synonyms: 4-(trifluoromethyl)-2-chloropyrimidine, 2-chloro-4-trifluoromethylpyrimidine, SBB054480, AG-F-10949, PYRIMIDINE, 2-CHLORO-4-(TRIFLUOROMETHYL)-, ZINC02159588, PubChem6907, AC1MCNNC, ACMC-209hxy, AC1Q4JG1, KSC222E4J, 407070_ALDRICH, CTK1C2244, MolPort-000-153-661, ABBYPHARMA AP-10-1130, ACT06639, ANW-27524, WT2150, 2-Chloro-4-trifluoromethyl-pyrimidine, AKOS001428771

Molecular Formula: C5H2ClF3N2Molecular Weight: 182.530990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FZRBTBCCMVNZBD-UHFFFAOYSA-N

• 1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (2R)-
IUPAC Name: (2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 166170-15-6
Synonyms: (R)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid, SureCN631031, BOC-ALPHA-ME-D-PRO-OH, CTK4D2263, MolPort-016-631-565, (R)-N-BOC-2-METHYLPROLINE, AKOS005264633, AKOS015999951, AG-E-15690, PB13044, AK122786, KB-209572, 1-(TERT-BUTOXYCARBONYL)-2-METHYL-D-PROLINE, (R)-N-ALPHA-T-BUTYLOXYCARBONYL-ALPHA-METHYL-PROLINE, (2R)-1-(TERT-BUTOXYCARBONYL)-2-METHYL-2-PYRROLIDINECARBOXYLIC ACID, (2R)-1-(TERT-BUTOXYCARBONYL)-2-METHYLPYRROLIDINE-2-CARBOXYLIC ACID, (R)-1-(T-BUTOXYCARBONYL)-2-METHYLPYRROLIDINE-2-CARBOXYLIC ACID, 1,2-PYRROLIDINEDICARBOXYLIC ACID, 2-METHYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (2R)-, 1,2-Pyrrolidinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (2R)-, 1,2-Pyrrolidinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (R)-;(R)-Boc-2-methylproline;

Molecular Formula: C11H19NO4Molecular Weight: 229.272860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YQXRKJHVAUKXRN-LLVKDONJSA-N

• 3,5-Dimethyl-4-isoxazolecarbaldehyde
IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde | CAS Registry Number: 54593-26-9
Synonyms: NSC151753, BB_SC-3991, ALBB-004460, CID289576, ZINC00158502, 3,5-dimethylisoxazole-4-carbaldehyde

Molecular Formula: C6H7NO2Molecular Weight: 125.125280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: TVAYXKLCEILMEA-UHFFFAOYSA-N

• 6-methylpyridazin-3-amine
IUPAC Name: 6-methylpyridazin-3-amine | CAS Registry Number: 18591-82-7
Synonyms: 6-Methylpyridazin-3-amine, 6-methylpyridazin-3-ylamine, ZINC00153000, CID87712, EINECS 242-430-3, AC-907/34116044

Molecular Formula: C5H7N3Molecular Weight: 109.129180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KAZMCIGKULUUMR-UHFFFAOYSA-N

• 2,5-Dibromoisonicotinic Acid
IUPAC Name: 2,5-dibromopyridine-4-carboxylic acid | CAS Registry Number: 942473-59-8
Synonyms: 2,5-dibromoisonicotinic acid, 2,5-Dibromopyridine-4-carboxylic acid, 2,5-Dibromo-isonicotinic acid, SBB065031, PubChem11161, ACMC-209rqw, 2,5-Dibromo isonicotinic acid, 2,5-Dibromoisonicotinic acid,, CTK5H6050, MolPort-002-500-359, 2,5-BIBROMOISONICOTINIC ACID, ANW-40230, AKOS005145604, AB48781, AG-E-47606, AG-L-25197, RP06628, AK-62144, KB-17831, KB-225838

Molecular Formula: C6H3Br2NO2Molecular Weight: 280.901520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CLIZDLYBXIPXCR-UHFFFAOYSA-N

• 6-Fluoro-4-methylcoumarin-3-carbonitrile
IUPAC Name: 6-fluoro-4-methyl-2-oxochromene-3-carbonitrile | CAS Registry Number: 288399-90-6
Synonyms: 6-fluoro-4-methyl-2-oxochromene-3-carbonitrile, 3-Cyano-6-fluoro-4-methylcoumarin, ZINC00404054, AC1MCTIP, 543713_ALDRICH, CTK4G2211, MolPort-001-776-678, PC6516, SBB093083, AG-E-93277, KB-96114, 6-FLUORO-4-METHYLCOUMARIN-3-CARBONITRIL&, 2H-1-Benzopyran-3-carbonitrile,6-fluoro-4-methyl-2-oxo-

Molecular Formula: C11H6FNO2Molecular Weight: 203.169243 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PVZRETKTYNNESC-UHFFFAOYSA-N

• 2,6-Dichloroisonicotinic acid
IUPAC Name: 2,6-dichloropyridine-4-carboxylic acid | CAS Registry Number: 5398-44-7
Synonyms: Enamine_005327, TPC-PY019, 456543_ALDRICH, 2,6-Dichloro-isonicotinic acid, NSC4466, 4-Pyridinecarboxylic acid, 2,6-dichloro-, ALBB-006233, SBB003621, 2,6-Dichloropyridine-4-carboxylic acid, Pyridine-4-carboxylic acid, 2,6-dichloro-, AI3-19387, TL8003540, AJ-333/25006161, InChI=1/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SQSYNRCXIZHKAI-UHFFFAOYSA-N

• 4-Fluoro-2-(1H-pyrazol-3-yl)phenol
IUPAC Name: (6Z)-6-(1,2-dihydropyrazol-3-ylidene)-4-fluorocyclohexa-2,4-dien-1-one | CAS Registry Number: 288401-64-9
Synonyms: 3-(5-FLUORO-2-HYDROXYPHENYL)PYRAZOLE, pyrazole, 31, 543853_ALDRICH, CHEMBL505230, MolPort-003-936-324, BP-12447, FT-0694711

Molecular Formula: C9H7FN2OMolecular Weight: 178.163083 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DIVXDXZKHCYBPY-FPLPWBNLSA-N

• 5-Formylfuran-2-boronic Acid
IUPAC Name: (5-formylfuran-2-yl)boronic acid | CAS Registry Number: 27329-70-0
Synonyms: 5-Formyl-2-furanboronic acid, 5-formyl-2-furylboronic acid, 2-Formylfuran-5-boronic acid, 512346_ALDRICH, SBB004171, CID2734355, F3420G1, TL8007120, AI-372/25005759

Molecular Formula: C5H5BO4Molecular Weight: 139.901800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JUWYQISLQJRRNT-UHFFFAOYSA-N

• 2,2'-Bipyrimidine
IUPAC Name: 2-pyrimidin-2-ylpyrimidine | CAS Registry Number: 34671-83-5
Synonyms: 2,2'-Dipyrimidyl, 510556_ALDRICH, EINECS 252-137-2, RJC 01086, ZINC00085626

Molecular Formula: C8H6N4Molecular Weight: 158.160040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HKOAFLAGUQUJQG-UHFFFAOYSA-N

• 2-Bromo-4,5,6,7-Tetrahydro-Thiazolo[5,4-C]pyridine
IUPAC Name: 2-bromo-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine hydrochloride | CAS Registry Number: 365996-07-2
Synonyms: AS0291, B4047G1, 2-Bromo-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine hydrochloride

Molecular Formula: C6H8BrClN2SMolecular Weight: 255.563120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PBOWGJGHBQXXET-UHFFFAOYSA-N

• 2,2-Dimethylcyclohexanone
IUPAC Name: 2,2-dimethylcyclohexan-1-one | CAS Registry Number: 1193-47-1
Synonyms: Dimethylcyclohexanone, Cyclohexanone, 2,2-dimethyl-, 373613_ALDRICH, NSC20553, EINECS 215-589-1, 1333-44-4

Molecular Formula: C8H14OMolecular Weight: 126.196160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KNSPBSQWRKKAPI-UHFFFAOYSA-N

• 3-Cyano-4,6-dimethylcoumarin
IUPAC Name: 4,6-dimethyl-2-oxochromene-3-carbonitrile | CAS Registry Number: 56394-28-6
Synonyms: SBB067571, 4,6-dimethyl-2-oxochromene-3-carbonitrile, 4,6-dimethyl-2-oxo-2h-chromene-3-carbonitrile, NSC708897, PubChem8674, AC1Q2QYB, AC1L9H9V, 3-Cyano-4,6-dimethyl coumarin, 3-Cyano-4,6-Dimethylcoumarin;, CTK5A5074, AR-1F8696, ZINC00058012, AKOS015914348, AG-J-34976, NSC-708897, KB-31394, FT-0640380, ST50308903, 4,6-dimethyl-2-oxo-1-benzopyran-3-carbonitrile, A831032

Molecular Formula: C12H9NO2Molecular Weight: 199.205360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UXGFULJYXBXUDP-UHFFFAOYSA-N

• 2-Amino-4-chlorothiazole-5-carbaldehyde
IUPAC Name: 2-amino-4-chloro-1,3-thiazole-5-carbaldehyde | CAS Registry Number: 76874-79-8
Synonyms: 2-Amino-4-chloro-5-formylthiazole, 2-amino-4-chloro-1,3-thiazole-5-carbaldehyde, SBB066502, AG-H-07006, PubChem8892, JSPY-st000067, JSPY-st000169, CTK5E3528, MolPort-000-139-730, ANW-51890, STK411268, ZINC02557657, AKOS002391907, AG-H-06242, MCULE-4315361897, QC-6418, RP08192, AK-15131, BR-15131, KB-19860

Molecular Formula: C4H3ClN2OSMolecular Weight: 162.597420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KJRBYUWRYRRPKN-UHFFFAOYSA-N

• 4-(2-Carboxyphenyl)-3,5-dimethylpyrazole
IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid | CAS Registry Number: 321309-43-7
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid, SDCCGMLS-0065988.P001, AC1MCQZ8, AC1Q2Q4E, SureCN1368263, CTK4G8261, MolPort-000-142-538, SBB005423, AKOS016013953, AG-F-07260, CC15701, RP05002, AK130267, KB-14296, 2-(3,5-dimethylpyrazol-4-yl)benzoic acid, FT-0608534, Y8720, 2-(3,5-dimethyl-1h-pyrazol-4-yl)-benzoic acid, A821152, Benzoic acid,2-(3,5-dimethyl-1H-pyrazol-4-yl)-

Molecular Formula: C12H12N2O2Molecular Weight: 216.235880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JNHKHFADRGJMJS-UHFFFAOYSA-N

• 1-Methyl-1H-benzimidazole-2-carboxylic acid
IUPAC Name: 1-methylbenzimidazole-2-carboxylic acid | CAS Registry Number: 20572-01-4
Synonyms: 1-methyl-1H-benzo[d]imidazole-2-carboxylic acid, 1-methylbenzimidazole-2-carboxylic acid, 1-METHYL-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 1-Methyl-1H-benzoimidazole-2-carboxylic acid, 1-Methyl-1H-1,3-Benzodiazole-2-Carboxylic Acid, AC1MKMLP, BAS 10156847, AC1Q3XMX, SureCN760729, CTK1A1585, MolPort-001-759-076, HMS1700N03, ANW-57320, MB32-4, AKOS000506112, AB09980, AG-E-50904, 1-methyl-2-benzimidazolecarboxylic acid, AK-34031, KB-12751

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YHHVGKXAIOVFOH-UHFFFAOYSA-N

• 3-Bromo-4-chloropyridine
IUPAC Name: 3-bromo-4-chloropyridine | CAS Registry Number: 36953-42-1
Synonyms: 3-bromo-4-chloropyridine, ZINC00331843, CID817696, AC-907/34115034

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

InChIKey: QADXKWUCCGPQNR-UHFFFAOYSA-N

• 3-bromochromone
IUPAC Name: 3-bromochromen-4-one | CAS Registry Number: 49619-82-1
Synonyms: 3-Bromochromone, Maybridge1_006104, 3-Bromo-4H-chromen-4-one, 513105_ALDRICH, ZINC00057933, ST5309075

Molecular Formula: C9H5BrO2Molecular Weight: 225.038800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IQIGYNPOESZBDJ-UHFFFAOYSA-N


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