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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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• 3-(tert-Butoxycarbonylaminomethyl)phenylboronic acid
IUPAC Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid | CAS Registry Number: 199609-62-6
Synonyms: BM554, 3-((N-Boc-amino)methyl)phenylboronic acid

Molecular Formula: C12H18BNO4Molecular Weight: 251.086620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: YHAQUGOSDQZIMA-UHFFFAOYSA-N

• 2-Cyano-3-Hydroxypyridine
IUPAC Name: 3-hydroxypyridine-2-carbonitrile | CAS Registry Number: 932-35-4
Synonyms: 2-Cyano-3-hydroxypyridine, 3-Hydroxypyridine-2-carbonitrile, EINECS 213-251-8, CID101920, TL8003206, AC-907/34117002

Molecular Formula: C6H4N2OMolecular Weight: 120.108760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XTVFTOVNAKNVQK-UHFFFAOYSA-N

• 2-Aminothiazole-5-carbaldehyde
IUPAC Name: 2-amino-1,3-thiazole-5-carbaldehyde | CAS Registry Number: 1003-61-8
Synonyms: 2-Amino-5-formylthiazole, 658111_ALDRICH, 2-Aminothiazole-5-carboxaldehyde, ZINC02577861, BB_SC-4878, ALBB-007812, 2-amino-1,3-thiazole-5-carbaldehyde, A2114G1, CID2737798, TL8000046

Molecular Formula: C4H4N2OSMolecular Weight: 128.152360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HZKMBJCDAXLMDN-UHFFFAOYSA-N

• 2-Amino-4-Methoxy-Benzoic Acid
IUPAC Name: 2-amino-4-methoxybenzoic acid | CAS Registry Number: 4294-95-5
Synonyms: 4-Methoxyanthranilic acid, 2-Amino-4-methoxybenzoic acid, CID351010, NSC517873, TL8003037, T6205297

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HHNWXQCVWVVVQZ-UHFFFAOYSA-N

• 3,4-Dimethylbenzaldehyde
IUPAC Name: 3,4-dimethylbenzaldehyde | CAS Registry Number: 5973-71-7
Synonyms: Ambap4839, Benzaldehyde, 3,4-dimethyl-, 3,4-DIMETHYLBENZALDEHYDE, 493856_ALDRICH, EINECS 227-770-2, ZINC02146875

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N

• 2H-1,4-Benzoxazin-3(4H)-one
IUPAC Name: 4H-1,4-benzoxazin-3-one | CAS Registry Number: 5466-88-6
Synonyms: benzoxazin-3-one, 2H-1,4-Benzoxazin-3-one, 4H-1,4-benzoxazin-3-one, 383503_ALDRICH, CPD-6405, NSC26354, NSC 26354, ZINC03883584, 2H-1,4-Benzoxazin-3(4H)-one (8CI)(9CI), AE-473/30224032, A0794/0037211, InChI=1/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QRCGFTXRXYMJOS-UHFFFAOYSA-N

• 2-Amino-4-fluoropyridine
IUPAC Name: 4-fluoropyridin-2-amine | CAS Registry Number: 944401-77-8
Synonyms: 4-fluoropyridin-2-amine, 4-FLUORO-2-PYRIDINAMINE, 4-fluoro-2-pyridylamine, 4-FLUORO-2-PYRIDINEAMINE, 4-FLUORO-PYRIDIN-2-YLAMINE, SBB051908, AG-H-89912, PubChem19911, ACMC-209rrv, SureCN310167, AGN-PC-01UEM5, KSC676K7T, CTK5H6579, MolPort-000-139-783, ABBYPHARMA AP-14-5367, ACT03891, ANW-40265, ZINC15444651, AKOS006238128, AB50025

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

InChIKey: WCCFLOQQACDOAX-UHFFFAOYSA-N

• 2,3-Difluoro-5-(trifluoromethyl)pyridine
IUPAC Name: 2,3-difluoro-5-(trifluoromethyl)pyridine | CAS Registry Number: 89402-42-6
Synonyms: 2,3-Difluoro-5-trifluoromethylpyridine, Pyridine,2,3-difluoro-5-(trifluoromethyl)-, ACMC-20dwi8, AGN-PC-00MIBM, SureCN609041, CTK5G3065, MolPort-001-778-538, PC9478, SBB089988, ZINC02540285, AKOS005063715, AG-H-61886, QC-9049, 2,3-difluoro-5-trifluoromethyl-pyridine, KB-16784, 2,3-Difluoro-5-(trifluoromethyl)pyridine;, KB-225108, FT-0678235, TL80073990, Pyridine, 2,3-difluoro-5-(trifluoromethyl)-

Molecular Formula: C6H2F5NMolecular Weight: 183.078796 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: XIFCGIKPAAZFFS-UHFFFAOYSA-N

• 1-(2-hydroxy-3,5-dimethylphenyl)ethanone
IUPAC Name: 1-(2-hydroxy-3,5-dimethylphenyl)ethanone | CAS Registry Number: 1198-66-9
Synonyms: 3',5'-Dimethyl-2'-hydroxyacetophenone, ST092284, 1-acetyl-2-hydroxy-3,5-dimethylbenzene, ZINC02381578, zlchem 678, AC1MBYFZ, SureCN471443, CTK4B1527, ZLD0130, MolPort-000-154-818, ACT05894, ANW-59878, SBB068751, STK819270, 3'5'-dimethyl-2'-hydroxyacetophenone, AKOS002220145, AG-D-43043, MCULE-3707433121, AK-32970, BP-20083

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KBXDUOVVDZNQDY-UHFFFAOYSA-N

• 2,6-Dimethoxypyridine-3-carboxaldehyde
IUPAC Name: 2,6-dimethoxypyridine-3-carbaldehyde | CAS Registry Number: 58819-72-0
Synonyms: 2,6-Dimethoxy-3-formylpyridine, 2,6-dimethoxypyridine-3-carbaldehyde, 3-Formyl-2,6-dimethoxypyridine, SBB065549, 2,6-dimethoxy-3-pyridinecarboxaldehyde, PubChem5105, ACMC-20a3wu, CTK1G9090, ELLANOVALABS 19-1976, MolPort-000-139-592, 2,6-DIMETHOXYNICOTINALDEHYDE, ANW-55996, ZINC08614808, AKOS015837393, AB43523, AG-A-26937, AG-C-22565, F2597G1, RP02516, 3-Pyridinecarboxaldehyde, 2,6-dimethoxy-

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UWHJWEBMUYYQKM-UHFFFAOYSA-N

• 2-(Bromomethyl)-1,3-benzothiazole
IUPAC Name: 2-(bromomethyl)-1,3-benzothiazole | CAS Registry Number: 106086-78-6
Synonyms: 2-(bromomethyl)-1,3-benzothiazole, 2-(Bromomethyl)benzo[d]thiazole, SBB070834, zlchem 58, ZINC00158624, PubChem3912, ACMC-1BPJU, AC1MCQU1, SureCN190078, AC1Q27NZ, 2-(bromomethyl)benzothiazole, CTK8C4638, ZLB0045, MolPort-000-142-314, ACT05798, ANW-72602, GEO-00492, AKOS005259793, RP05452, AK-32768

Molecular Formula: C8H6BrNSMolecular Weight: 228.108940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WFLCAOGKZQTOIG-UHFFFAOYSA-N

• 2-Methyl-1,3-thiazole-4-carboxylic acid
IUPAC Name: 2-methyl-1,3-thiazole-4-carboxylic acid | CAS Registry Number: 35272-15-2
Synonyms: NSC140907, CID284728, CB-0747

Molecular Formula: C5H5NO2SMolecular Weight: 143.163700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZHDRDZMTEOIWSX-UHFFFAOYSA-N

• 2'-Hydroxy-5'-methyl-3'-nitroacetophenone
IUPAC Name: 1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone | CAS Registry Number: 66108-30-3
Synonyms: 1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone, SBB057712, 2'-hydroxy-3'-nitro-5'-methylacetophenone, 1-acetyl-2-hydroxy-5-methyl-3-nitrobenzene, AC1LEHI3, AC1Q1JHI, AC1Q5AKN, SureCN4132017, 415766_ALDRICH, CTK5C3534, KST-1B7118, AR-1B0918, AKOS006220491, AKOS015912489, 2-hydroxy-5-methyl-3-nitroacetophenone, 2-ACETYL-4-METHYL-6-NITROPHENOL, KB-24467, FT-0641048, ST50331361, 1-(5-methyl-3-nitro-2-oxidanyl-phenyl)ethanone

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

InChIKey: XSHQMMIEZHWNAK-UHFFFAOYSA-N

• 1-Benzothiophen-3-ylmethanol
IUPAC Name: 1-benzothiophen-3-ylmethanol | CAS Registry Number: 5381-24-8
Synonyms: 1-benzothiophen-3-ylmethanol, Benzo[b]thiophen-3-ylmethanol, ZINC00158712, AC1MCQWC, SureCN2248829, Benzo[|A]thiophene-3-methanol, AC1Q7C45, CTK4J8826, MolPort-000-142-446, benzo[b]thiophen-3-ylmethan-1-ol, ANW-73580, SBB087821, AKOS009157899, AG-A-18551, AG-F-85424, CC12309, RP02383, AK-45278, BP-10647, KB-11207

Molecular Formula: C9H8OSMolecular Weight: 164.224220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UYGMKSKKGSUAHB-UHFFFAOYSA-N

• 1h-Indazol-3-Amine, 1-Methyl-
IUPAC Name: 1-methylindazol-3-amine | CAS Registry Number: 60301-20-4
Synonyms: 1-Methyl-1H-indazol-3-amine, 3-Amino-1-methylindazole, 3-Amino-1-methyl-1H-indazole, SBB052076, 1-methylindazol-3-amine, SureCN823488, 1-methyl-1H-indazole-3-ylamine, CTK5B1269, MolPort-001-756-737, ANW-74791, WTI-11415, ZINC15020373, AKOS005072733, AG-A-56431, AG-G-15773, MCULE-3587964887, QC-5110, RP01531, AK-27936, KB-12771

Molecular Formula: C8H9N3Molecular Weight: 147.177160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NYLGITXFVVEBLZ-UHFFFAOYSA-N

• 3-Nitro-5-(trifluoromethyl)pyridin-2-ol
IUPAC Name: 3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one | CAS Registry Number: 33252-64-1
Synonyms: 3-nitro-5-(trifluoromethyl)pyridin-2(1H)-one, 2-HYDROXY-3-NITRO-5-(TRIFLUOROMETHYL)PYRIDINE, 3-nitro-5-(trifluoromethyl)pyridin-2-ol, SBB039140, AG-F-12053, 2(1H)-Pyridinone,3-nitro-5-(trifluoromethyl)-, 5-(TRIFLUOROMETHYL)-3-NITROPYRIDIN-2-OL, 3-nitro-5-(trifluoromethyl)hydropyridin-2-one, PubChem9284, ACMC-209hzy, AC1MCPZ4, SureCN573358, AC1Q1X9Z, CTK4H0286, CTK5I2425, MolPort-000-145-616, MolPort-000-499-451, ANW-27596, QC-462, RB1054

Molecular Formula: C6H3F3N2O3Molecular Weight: 208.094830 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: JYXKHKBZLLIWEV-UHFFFAOYSA-N

• 2-Cyanopiperidine
IUPAC Name: piperidine-2-carbonitrile | CAS Registry Number: 42457-10-3
Synonyms: 2-cyanopiperidine, Piperidine-2-carbonitrile, Pipecolonitrile, 2-piperidinecarbonitrile, (S)-2-CYANOPIPERIDINE, 2-Cyano-piperidinehydrochloride, pipecolinonitrile, PubChem23031, AC1L4DP0, AGN-PC-00MLC8, SureCN4824916, PIPERIDINE CARBONITRILE, (2S)-piperidine-2-carbonitrile, MolPort-003-983-323, (+/-)-2-CYANOPIPERIDINE, ANW-75173, SBB066879, AKOS001297611, AB13841, AK-39015

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAVXLTMRALFZIS-UHFFFAOYSA-N

• 2-Chloro-6-methyl-4-nitroaniline
IUPAC Name: 2-chloro-6-methyl-4-nitroaniline | CAS Registry Number: 69951-02-6
Synonyms: ZINC03884498, SBB003700, CID2733460, D1116, 9T-0036

Molecular Formula: C7H7ClN2O2Molecular Weight: 186.595680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HVPVUAIKGOKEEE-UHFFFAOYSA-N

• 3-Benzoyl-2-Chloropyridine
IUPAC Name: (2-chloropyridin-3-yl)-phenylmethanone | CAS Registry Number: 80099-81-6
Synonyms: 3-Benzoyl-2-chloropyridine, (2-Chloropyridin-3-yl)(phenyl)methanone, AC-907/34109021, ZINC00343372, AC1LGNYQ, MolPort-002-799-517, AKOS002684103, AB13818, MCULE-3402058390, (2-chloropyridin-3-yl)-phenylmethanone, (2-chloropyridin-3-yl)phenyl methanone, (2-chloro-3-pyridinyl)(phenyl)methanone, AC-12339, AK140205, KB-206050, (2-CHLORO-3-PYRIDINYL) PHENYL METHANONE

Molecular Formula: C12H8ClNOMolecular Weight: 217.651020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KKJGMDXUAOTRBW-UHFFFAOYSA-N

• (8-Bromo-1-naphthyl)methanol
IUPAC Name: (8-bromonaphthalen-1-yl)methanol | CAS Registry Number: 14938-58-0
Synonyms: (8-bromonaphthalen-1-yl)methanol, (8-bromo-1-naphthyl)methanol, CDS1_000809, Maybridge1_005561, AC1MCX08, SureCN1128764, DivK1c_001849, 1-Naphthalenemethanol,8-bromo-, CTK4C6186, HMS557E17, MolPort-000-145-412, NRB00702, CCG-41022, ZINC00162134, AKOS015908816, AG-D-95518, MCULE-1571156971, AK135267, KB-146056, FT-0604848

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

InChIKey: CBEFAHWSHVJUKE-UHFFFAOYSA-N

• 3-Amino-4-Cyanopyrazole
IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile | CAS Registry Number: 16617-46-2
Synonyms: 3-Amino-4-cyanopyrazole, 5-Amino-4-cyanopyrazole, 3-Amino-4-pyrazolecarbonitrile, 3-Aminopyrazole-4-nitrile, 3-Aminopyrazole-4-carbonitrile, 5-Aminopyrazole-4-carbonitrile, 153044_ALDRICH, Pyrazole-4-carbonitrile, 3-amino-, 5-amino-1H-pyrazole-4-carbonitrile, ZERO/001752, 3-Amino-1H-pyrazole-4-carbonitrile, BB_SC-3265, 1H-Pyrazole-4-carbonitrile, 3-amino-, NSC44932, EINECS 240-665-6, NSC 44932, ZINC01069844, TL8001275, AE-473/31199025, 103013-86-1

Molecular Formula: C4H4N4Molecular Weight: 108.101360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FFNKBQRKZRMYCL-UHFFFAOYSA-N

• 3-Bromo-2-thiophenecarboxylic acid
IUPAC Name: 3-bromothiophene-2-carboxylic acid | CAS Registry Number: 7311-64-0
Synonyms: Maybridge1_007344, 633011_ALDRICH, 3-Bromothiophene-2-carboxylic acid, 3-bromo-2-thiophenecarboxylic acid, CID2739688, FS000850, ST5408551, AF-960/00468043

Molecular Formula: C5H3BrO2SMolecular Weight: 207.045120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VQQLWBUTTMNMFT-UHFFFAOYSA-N

• (6-Morpholino-3-Pyridinyl)methanol
IUPAC Name: (6-morpholin-4-ylpyridin-3-yl)methanol | CAS Registry Number: 388088-73-1
Synonyms: (6-Morpholino-3-Pyridinyl)Methanol, [6-(morpholin-4-yl)pyridin-3-yl]methanol, SDCCGMLS-0065997.P001, AC1MCQZQ, SureCN857231, AC1Q7C0T, CTK4I0518, MolPort-000-142-561, (6-Morpholinopyridin-3-yl)methanol, SBB091769, AKOS005363170, AG-F-36947, CC17509, MCULE-1311775358, RP03964, RP25321, 3-Pyridinemethanol,6-(4-morpholinyl)-, (6-morpholin-4-ylpyridin-3-yl)methanol, KB-62944, (6-morpholin-4-yl-3-pyridyl)methan-1-ol

Molecular Formula: C10H14N2O2Molecular Weight: 194.230360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NXKXCMMRCZMJRJ-UHFFFAOYSA-N

• 3-Hydroxy-4-iodobenzoic acid
IUPAC Name: 3-hydroxy-4-iodobenzoic acid | CAS Registry Number: 58123-77-6
Synonyms: AG-G-05521, AC1LEJ1L, AC1Q4PHV, SureCN351139, 3-Hydroxy-4-iodobenzoicacid, ACMC-1AY71, AE-641/00128043, KSC497O7H, 3-Hydroxy-4-iodo-benzoic acid, 664057_ALDRICH, CTK3J7773, MolPort-000-144-979, ANW-49586, AR-1F3633, SBB064163, AKOS007930832, 4-IODO-3-HYDROXY BENZOIC ACID, AB10648, AC-5637, QC-1419

Molecular Formula: C7H5IO3Molecular Weight: 264.017270 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UABBBWVTEWIIMN-UHFFFAOYSA-N

• 1-Methylpyrrolidine-2-Ethanol
IUPAC Name: 2-(1-methylpyrrolidin-2-yl)ethanol | CAS Registry Number: 67004-64-2
Synonyms: 1-Methyl-2-pyrrolidineethanol, 139513_ALDRICH, 1-Methyl-2-pyrrolidine ethanol, 2-(1-Methyl-2-pyrrolidine)ethanol, EINECS 266-538-5, 2-(2-Hydroxyethyl)-N-methylpyrrolidine, N-methyl-2-(2-hydroxyethyl)pyrrolidine, TL8004728

Molecular Formula: C7H15NOMolecular Weight: 129.200100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N

• 2,3,5-Tribromopyridine
IUPAC Name: 2,3,5-tribromopyridine | CAS Registry Number: 75806-85-8
Synonyms: AG-H-02296, 2,3,5-Tribromopyridinecas, AC-907/25004325, ZINC00151263, AC1LCFZU, PubChem10382, AC1Q25AL, Pyridine,2,3,5-tribromo-, CTK5E2031, MolPort-000-676-505, ACT05451, ANW-74527, SBB039003, STL227622, AKOS000267455, MCULE-3216874089, RP06922, AK-48485, KB-16591, S959

Molecular Formula: C5H2Br3NMolecular Weight: 315.788080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BBHYMJRPJFVNPI-UHFFFAOYSA-N

• (1-(4-Chlorobenzyl)-1h-Imidazol-2-Yl)methanol
IUPAC Name: [1-[(4-chlorophenyl)methyl]imidazol-2-yl]methanol | CAS Registry Number: 175203-53-9
Synonyms: [1-(4-chlorobenzyl)-1H-imidazol-2-yl]methanol, (1-(4-chlorobenzyl)-1H-imidazol-2-yl)methanol, SBB046495, [1-[(4-chlorophenyl)methyl]imidazol-2-yl]methanol, {1-[(4-chlorophenyl)methyl]imidazol-2-yl}methanol, ZINC00161405, AC1MCUZE, PubChem13338, Maybridge1_005047, AC1Q7C4O, SureCN8007351, CTK8A3379, HMS555N09, MolPort-001-764-408, ALBB-003973, STK502825, AKOS000321228, AC-6293, AG-L-44620, AK-59907

Molecular Formula: C11H11ClN2OMolecular Weight: 222.670840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WBQUIVPYPWINGE-UHFFFAOYSA-N

• 2-Chloro-6-Fluoroquinoline
IUPAC Name: 2-chloro-6-fluoroquinoline | CAS Registry Number: 77119-53-0
Synonyms: 2-chloro-6-fluoroquinoline, AG-H-08007, AC1Q4MQL, ACMC-1BHL4, AGN-PC-003KYQ, 2-Chloro-6-fluoroquinoline,, Quinoline,2-chloro-6-fluoro-, Quinoline, 2-chloro-6-fluoro-, CTK5E3870, MolPort-015-144-148, ANW-36952, AKOS013465538, AB43963, AK-93820, KB-22691, B-4731, I08-648

Molecular Formula: C9H5ClFNMolecular Weight: 181.594103 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: USAYWGMYCNWTGO-UHFFFAOYSA-N

• 2,4,6-Trichloro Pyrimidine
IUPAC Name: 2,4,6-trichloropyrimidine | CAS Registry Number: 3764-01-0
Synonyms: 2,4,6-Trichloropyrimidine, Pyrimidine, 2,4,6-trichloro-, Ambap189, CCRIS 7597, T56200_ALDRICH, NSC 6494, 91405_FLUKA, EINECS 223-183-0, NSC6494, ZINC01693558, AI3-26566, LS-167035, InChI=1/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1

Molecular Formula: C4HCl3N2Molecular Weight: 183.423140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DPVIABCMTHHTGB-UHFFFAOYSA-N

• 2-methyl-oxazole-4-carbaldehyde
IUPAC Name: 2-methyl-1,3-oxazole-4-carbaldehyde | CAS Registry Number: 113732-84-6
Synonyms: 2-Methyloxazole-4-carbaldehyde, 2-Methyl-oxazole-4-carbaldehyde, 2-methyl-1,3-oxazole-4-carbaldehyde, 2-methyl-4-formyloxazole, 2-methyloxazole-4-carboxaldehyde, 2-methyl-1,3-oxazole-4-carboxaldehyde, 4-Formyl-2-methyl-1,3-oxazole, 4-oxazolecarboxaldehyde, 2-methyl-, ACMC-20ai0d, 4-Oxazolecarbaldehyde,2-methyl-, CTK4A8416, 4-Oxazolecarboxaldehyde,2-methyl-, ANW-74267, WTI-10627, ZINC20443727, AKOS000111393, AB13940, AG-D-33706, CC57904, RP00517

Molecular Formula: C5H5NO2Molecular Weight: 111.098700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ARAUEWKXKTYCHZ-UHFFFAOYSA-N

• 2,4-Dimethyl-3-Pyridinecarboxylic Acid Hydrochloride
IUPAC Name: 2,4-dimethylpyridine-3-carboxylate | CAS Registry Number: 55314-30-2
Synonyms: ZINC04202615

Molecular Formula: C8H8NO2-Molecular Weight: 150.154620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSZKVKMGSAAAJZ-UHFFFAOYSA-M

• 3-Bromo-4-Chlorobenzaldehyde
IUPAC Name: 3-bromo-4-chlorobenzaldehyde | CAS Registry Number: 86265-88-5
Synonyms: 3-Bromo-4-chlorobenzaldehyde, 3-Bromo-4-Chloro-Benzaldehyde, Benzaldehyde, 3-bromo-4-chloro-, PubChem7763, KSC447Q3J, 3-Bromo-4-chlorobenzaldehyde,, ACMC-209q95, AGN-PC-00091V, CTK3E7834, MolPort-003-984-791, ACT00917, ANW-38295, WT1682, ZINC22016804, AKOS015834635, AG-H-47953, AM62281, LF10654, QC-7602, AK-36603

Molecular Formula: C7H4BrClOMolecular Weight: 219.463060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AKDABJGHOOCVKX-UHFFFAOYSA-N

• 3-Chloro diphenylamine
IUPAC Name: 3-chloro-N-phenylaniline | CAS Registry Number: 101-17-7
Synonyms: 3-Chlorodiphenylamine, Benzenamine, 3-chloro-N-phenyl-, Oprea1_486499, Oprea1_488154, 3-CHLORODIPHENYL ETHER, EINECS 202-922-0, ZINC00157480

Molecular Formula: C12H10ClNMolecular Weight: 203.667500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OHHIBZKYXJDQEU-UHFFFAOYSA-N

• 2-bromo-3-fluoropyridine
IUPAC Name: 2-bromo-3-fluoropyridine | CAS Registry Number: 40273-45-8
Synonyms: 2-Bromo-3-fluoropyridine, AG-F-42670, 2-bromo-3-fluoro-pyridine, PubChem3002, ACMC-1AM6D, 2-Bromo-3-fluoropyridine,, AC1MC7D4, KSC235K8B, CTK1D5580, 5-Fluoro-pyridine-2-carbaldehyde, MolPort-001-777-928, ABBYPHARMA AP-17-5102, ANW-29347, QC-470, RB1083, SBB089105, ZINC02598979, AKOS005063962, AC-6267, AF10145

Molecular Formula: C5H3BrFNMolecular Weight: 175.986423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IFGLECYAEGYLSJ-UHFFFAOYSA-N

• 1-Methyl-1H-Indazole-4-Carboxaldehyde
IUPAC Name: 1-methylindazole-4-carbaldehyde | CAS Registry Number: 1053655-56-3
Synonyms: 1-METHYL-1H-INDAZOLE-4-CARBALDEHYDE, 1-Methyl-1H-indazole-4-carboxaldehyde, 1-methylindazole-4-carbaldehyde, 4-Formyl-1-methyl-1H-indazole, CTK7H9960, 1-methyl-4-indazolecarboxaldehyde, ANW-74199, ZINC30677782, AKOS005258495, AG-B-82744, OR30711, PB31498, RP02121, AK-79257, KB-12779, FT-0685463, Y5155, A801207

Molecular Formula: C9H8N2OMolecular Weight: 160.172620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SONWSIAHVBTXPB-UHFFFAOYSA-N

• 2-Amino-4-Methyloxazole
IUPAC Name: 4-methyl-1,3-oxazol-2-amine | CAS Registry Number: 35629-70-0
Synonyms: 2-Amino-4-methyloxazole, 2-Amino-4-methyl-oxazole, 4-Methyl-1,3-oxazol-2-amine, ZINC02581942, CID535824, A2053G1, KM08202

Molecular Formula: C4H6N2OMolecular Weight: 98.103240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VCZJVXLWQTXSPQ-UHFFFAOYSA-N

• 2,4-dichloro-5-nitropyrimidine
IUPAC Name: 2,4-dichloro-5-nitropyrimidine | CAS Registry Number: 49845-33-2
Synonyms: nchembio826-comp4, Ambap3662, 2,4-Dichloro-5-nitropyrimidine, 658340_ALDRICH, 3-Nitro-2,4-dichloropyrimidine, 2,4-Dichloro-5-nitro-pyrimidine, ZINC02023569, CID521266, Pyrimidine, 2,4-dichloro-5-nitro-, TL806384, AC-907/25004262

Molecular Formula: C4HCl2N3O2Molecular Weight: 193.975640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: INUSQTPGSHFGHM-UHFFFAOYSA-N

• 2,3-Dihydro-4-Benzofurancarboxaldehyde
IUPAC Name: 2,3-dihydro-1-benzofuran-4-carbaldehyde | CAS Registry Number: 209256-42-8
Synonyms: 2,3-Dihydrobenzofuran-4-carbaldehyde, AG-E-53635, 2,3-DIHYDRO-BENZOFURAN-4-CARBALDEHYDE, MolPort-000-140-130, ANW-66468, ZINC02580841, 2,3-Dihydro-4-benzofurancarbaldehyde, AKOS006230115, AK-45511, KB-16894, FT-0691382, 2,3-DIHYDRO-4-BENZOFURANCARBOXALDEHYDE, A25666, 4-Benzofurancarboxaldehyde, 2,3-dihydro- (9CI), I14-13108, 2,3-DIHYDRO-BENZOFURAN-4-CARBALDEHYDE;2,3-DIHYDRO-4-BENZOFURANCARBOXALDEHYDE;4-Benzofurancarboxaldehyde, 2,3-dihydro- (9CI)

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MKWRRGVTYBMERJ-UHFFFAOYSA-N

• 6-Fluoro-1-Methyl-1H-Indazol-3-Amine
IUPAC Name: 6-fluoro-1-methylindazol-3-amine | CAS Registry Number: 171809-13-5
Synonyms: 6-Fluoro-1-methyl-1H-indazol-3-amine, 3-Amino-6-fluoro-1-methyl-1H-indazole, 6-fluoro-1-methylindazol-3-amine, 6-Fluoro-1-methyl-1H-indazol-3-ylamine, ACMC-209e3e, AGN-PC-00OM0F, SureCN9181218, CTK7C1468, 3-Amino-6-fluoro-1-methylindazole, ANW-22536, PC5691, SBB087900, ZINC30678025, AKOS005258463, AG-B-95812, RP02418, KB-82945, 6-fluoro-1-methyl-1H-indazole-3-ylamine, FT-0685521, Y7802

Molecular Formula: C8H8FN3Molecular Weight: 165.167623 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DWNBSUXIZQEXMC-UHFFFAOYSA-N

• 1,5-Dimethyl-1h-Pyrazole-4-Carbaldehyde
IUPAC Name: 1,5-dimethylpyrazole-4-carbaldehyde | CAS Registry Number: 25711-30-2
Synonyms: ARONIS015569, ZINC02531015, BB_SC-3693, 1,5-Dimethyl-1H-pyrazole-4-carbaldehyde, ALBB-000182, CID579643, STK251873, BAS 13503593, Pyrazole-4-carboxaldehyde, 1,5-dimethyl-, 1H-Pyrazole-4-carboxaldehyde, 1,5-dimethyl-

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SGNRGSSHBKKIJR-UHFFFAOYSA-N

• 2,6-dichloro-5-fluorobenzoic acid
IUPAC Name: 2,6-dichloro-3-fluorobenzoic acid | CAS Registry Number: 178813-78-0
Synonyms: 2,6-dichloro-3-fluorobenzoic acid, 2,6-Dichloro-5-fluorobenzoic acid, 2,6-Dichloro-3-fluorobenzoicacid, SBB066019, AG-E-28972, NSC190306, AC1L70XA, SureCN1358784, 2,6-Dichloro-3-fluorobenzoic, Jsp003681, CTK4D6906, MolPort-001-772-795, ACT00501, 2,6-dichloro-3-fluoro benzoic acid, AC-322, ANW-49252, AKOS015892790, Benzoic acid,2,6-dichloro-3-fluoro-, AS00959, AS02479

Molecular Formula: C7H3Cl2FO2Molecular Weight: 209.001923 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NMFMJSSFYLXQAO-UHFFFAOYSA-N

• (2-Mercapto-1-Methyl-1h-Imidazol-5-Yl)methanol
IUPAC Name: 4-(hydroxymethyl)-3-methyl-1H-imidazole-2-thione | CAS Registry Number: 143122-18-3
Synonyms: ZINC00153323, CID2801430, TL00728

Molecular Formula: C5H8N2OSMolecular Weight: 144.194820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GXYFRGKYSBWAEO-UHFFFAOYSA-N

• 1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid
IUPAC Name: 2-methyl-4-nitro-5-propylpyrazole-3-carboxylic acid | CAS Registry Number: 139756-00-6
Synonyms: 1H-Pyrazole-5-carboxylicacid, 1-methyl-4-nitro-3-propyl-, SureCN1115, AC1MBPF5, ACMC-1BX7R, Oprea1_507899, PYR245, CTK0H4137, MolPort-002-506-540, ANW-61166, AKOS004909106, AG-D-80050, AM97558, GL-0485, MCULE-1923434633, AC-12315, AK-59081, KB-132386, FT-0643315, 1-Methyl-4-nitro-3-propylpyrazole-5-carboxylic Acid, 1-Methyl-4-nitro-3-propylpyrazole-5-carboxylic acid;

Molecular Formula: C8H11N3O4Molecular Weight: 213.190640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: GFORSNBMYCLGIE-UHFFFAOYSA-N

• 4-(4-Benzylpiperazino)Aniline
IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)aniline | CAS Registry Number: 16154-69-1
Synonyms: ZINC00166223, CID6933573

Molecular Formula: C17H22N3+Molecular Weight: 268.376680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PZWVVLZWQWIEAV-UHFFFAOYSA-O

• 2-cyano-3-chloropyridine
IUPAC Name: 3-chloropyridine-2-carbonitrile | CAS Registry Number: 38180-46-0
Synonyms: 3-chloro-2-cyanopyridine, 2-Cyano-3-chloropyridine, 3-chloropyridine-2-carbonitrile, 3-chloro-2-pyridinecarbonitrile, 3-chloropicolinonitrile, 2-pyridinecarbonitrile, 3-chloro-, 3-chlorpyridin-2-carbonitril, SBB065258, ZINC00332990, PubChem14368, ACMC-209iyb, AC1LGAY5, AC1Q3HSC, SureCN363772, AC1Q3PN3, Pyridinecarbonitrile, chloro-, KSC198O0J, PYR416, Jsp006695, CTK0J8704

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

InChIKey: YDPLFBIGFQFIDB-UHFFFAOYSA-N

• (-)-Cis, Trans-Abscisic Acid
IUPAC Name: (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid | CAS Registry Number: 14398-53-9
Synonyms: (-)-Abscisic acid, (-)-ABA, ABSCISIC ACID, (-)-cis,trans-Abscisic acid, (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, (7E,9Z)-(6R)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid, (R)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, (+)-2-cis,4-trans-abscisic acid, (R)-abscisic acid, (-)-(R)-Abscisic acid, (R)-(-)-Abscisic acid, AC1LD7U6, A8451_SIGMA, UNII-4F7961S98F, (-)-(cis,Trans)-abscisic acid, CHEBI:28937, PBI-145, (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid, 2,4-pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-, Abscisic acid, (-)-(2Z,4E)-

Molecular Formula: C15H20O4Molecular Weight: 264.316900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JLIDBLDQVAYHNE-QHFMCZIYSA-N

• 2-Amino-6-Nitrobenzothiazole
IUPAC Name: 6-nitro-1,3-benzothiazol-2-amine | CAS Registry Number: 6285-57-0
Synonyms: 2-Benzothiazolamine, 6-nitro-, 6-Nitrobenzothiazol-2-amine, 6-Nitro-2-aminobenzothiazole, 2-AMINO-6-NITROBENZOTHIAZOLE, Maybridge1_005516, 6-Nitro-2-benzothiazolamine, Benzothiazole, 2-amino-6-nitro-, CCRIS 1391, NCIOpen2_000006, NCIOpen2_000201, DivK1c_001804, 190241_ALDRICH, 6-Nitro-1,3-benzothiazol-2-amine, EINECS 228-513-7, NSC 10794, NSC 62341, NSC 62980, NSC10794, NSC62341, NSC62980

Molecular Formula: C7H5N3O2SMolecular Weight: 195.198500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GPNAVOJCQIEKQF-UHFFFAOYSA-N

• 2-(4-Methyl-1,3-Thiazol-2-Yl)Acetamide
IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)acetamide | CAS Registry Number: 173739-73-6
Synonyms: 2-(4-methyl-1,3-thiazol-2-yl)acetamide, ZINC00105372, AC1LEHVJ, Enamine_000032, SureCN2090920, STOCK3S-37985, CTK4D4755, MolPort-000-421-983, HMS1394B10, 2-(4-Methylthiazol-2-yl)acetamide, SBB038108, STK546194, AKOS000267877, AG-E-23285, MCULE-3200462550, KB-82969, FT-0608669, ST50036742, F0848-0305

Molecular Formula: C6H8N2OSMolecular Weight: 156.205520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AOBLTBKNIPVVET-UHFFFAOYSA-N

• 2,6-Dichloro Pyrazine
IUPAC Name: 2,6-dichloropyrazine | CAS Registry Number: 4774-14-5
Synonyms: 2,6-Dichloropyrazine, Pyrazine, 2,6-dichloro-, 132497_ALDRICH, ZINC02141061, CID78504, EINECS 225-316-8, D2303G1, AI3-61780, ST5412065, TL8003239, InChI=1/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LSEAAPGIZCDEEH-UHFFFAOYSA-N

• 1-(2,6-Dichloro-3-Fluorophenyl)ethanol
IUPAC Name: 1-(2,6-dichloro-3-fluorophenyl)ethanol | CAS Registry Number: 756520-66-8
Synonyms: 1-(2,6-dichloro-3-fluorophenyl)ethanol, AG-H-01554, (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol, ACMC-1BKGV, AC1Q2BRX, SureCN488680, CTK5E1835, MolPort-004-291-080, AGN-PC-007845, ANW-36648, AKOS000126451, MCULE-2109088919, AK-32417, BR-32417, KB-08157, 1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol, AM20060789, EN300-30544, 1(2,6-DICHLORO-3-FLUOROPHENYL)ETHANOL, Benzenemethanol,2,6-dichloro-3-fluoro-a-methyl-

Molecular Formula: C8H7Cl2FOMolecular Weight: 209.044983 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JAOYKRSASYNDGH-UHFFFAOYSA-N


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