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Spectrum Info Ltd.

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Profile: Spectrum Info Ltd. focuses on laboratory scale synthesis of fine organic chemicals and combinatorial building blocks. We provide rare and commercially unavailable compounds for research chemists. Our catalog of fine chemicals contains several hundred building blocks for organic synthesis. We provide about 500 synthetic dyes of various classes covering the absorbance range 350-1100 nm. Specialty dyes catalog includes laser dyes, fluorescent probes, dyes for worm disks production & electrophotography, silver halide sensitizers for visible & near IR region, and indicators.

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• 2-chloro-N-(4-fluorophenyl)acetamide
IUPAC Name: 2-chloro-N-(4-fluorophenyl)acetamide

Molecular Formula: C8H7ClFNOMolecular Weight: 187.598683 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JDAWWCJBFPBHFL-UHFFFAOYSA-N

• 4-aminobenzohydrazide
IUPAC Name: 4-aminobenzohydrazide

Molecular Formula: C7H9N3OMolecular Weight: 151.165860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WPBZMCGPFHZRHJ-UHFFFAOYSA-N

• 4-Amino-3'-chloro-1,1'-biphenyl-3-carboxylic acid
IUPAC Name: 2-amino-5-(3-chlorophenyl)benzoic acid | CAS Registry Number: 885268-24-6
Synonyms: CTK3E6221, AKOS000813940, BB 0223067, 4-amino-3'-chloro[1,1'-biphenyl]-3-carboxylic acid, [1,1'-Biphenyl]-3-carboxylicacid, 4-amino-3'-chloro-

Molecular Formula: C13H10ClNO2Molecular Weight: 247.677000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FEJBBFOQHCQHDJ-UHFFFAOYSA-N

• 4-Amino-3'-(trifluoromethyl)-1,1'-biphenyl-3-carboxylic acid
IUPAC Name: 2-amino-5-[3-(trifluoromethyl)phenyl]benzoic acid | CAS Registry Number: 885268-28-0
Synonyms: [1,1'-Biphenyl]-3-carboxylicacid, 4-amino-3'-(trifluoromethyl)-, AGN-PC-015PWJ, CTK3E6223, AKOS000124531, AG-C-44712, BB 0223087, 4-Amino-3'-(trifluoromethyl)[1,1'-biphenyl]-, 4-amino-3'-(trifluoromethyl)[1,1'-biphenyl]-3- carboxylic acid, 4-Amino-3'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid

Molecular Formula: C14H10F3NO2Molecular Weight: 281.229910 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YMJPLCDPUVMMRH-UHFFFAOYSA-N

• 4-({[(2,6-difluorophenyl)sulfonyl]amino}methyl)benzoic acid
IUPAC Name: 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]benzoic acid | CAS Registry Number: 690646-12-9
Synonyms: F3394-1137, AC1LGV4U, CTK2F1774, MolPort-000-646-969, AKOS000813270, MCULE-9544044450, T5890029, 4-((2,6-difluorophenylsulfonamido)methyl)benzoic acid, 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]benzoic acid, Benzoicacid, 4-[[[(2,6-difluorophenyl)sulfonyl]amino]methyl]-

Molecular Formula: C14H11F2NO4SMolecular Weight: 327.303246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: KEAPEXOGYMGTMZ-UHFFFAOYSA-N

• 1-[(3-methoxyphenyl)sulfonyl]proline
IUPAC Name: 1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid | CAS Registry Number: 1008243-65-9
Synonyms: F3394-1133, AC1MGF9T, CBKinase1_007825, CBKinase1_020225, SCHEMBL2707091, 1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic Acid, MolPort-000-646-965, AKOS000813254, AKOS016049950, MCULE-8553977453, VU0618389-1, BRD-A40679384-001-01-4, 1-((3-methoxyphenyl)sulfonyl)pyrrolidine-2-carboxylic acid

Molecular Formula: C12H15NO5SMolecular Weight: 285.314 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WAIYOLBUTQTIHL-UHFFFAOYSA-N

• 1-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}cyclohexanecarboxylic acid
IUPAC Name: 1-[(2,3,5,6-tetramethylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid | CAS Registry Number: 885269-54-5
Synonyms: MolPort-001-639-304, AKOS000813736, MCULE-6728455043, F9995-0696, 1-(2,3,5,6-tetramethylphenylsulfonamido)cyclohexanecarboxylic acid, 1-(2,3,5,6-TETRAMETHYLPHENYLSULFONYLAMINO)CYCLOHEXANECARBOXYLIC ACID

Molecular Formula: C17H25NO4SMolecular Weight: 339.449700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: AUJXKRTUDQFEGI-UHFFFAOYSA-N

• 3-[4-(2-methylphenoxy)phenylsulfonamido]benzoic acid
IUPAC Name: 3-[[4-(2-methylphenoxy)phenyl]sulfonylamino]benzoic acid | CAS Registry Number: 612045-19-9
Synonyms: AC1MQWG4, CTK2F1763, 3-[[4-(2-methylphenoxy)phenyl]sulfonylamino]benzoic Acid, AKOS000805755, 3-(4-(o-tolyloxy)phenylsulfonamido)benzoic acid, F9995-0713, Benzoicacid, 3-[[[4-(2-methylphenoxy)phenyl]sulfonyl]amino]-

Molecular Formula: C20H17NO5SMolecular Weight: 383.417680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LFTJJXFNQQLSHU-UHFFFAOYSA-N

• 3-[4-(2-methoxyphenoxy)phenylsulfonamido]benzoic acid
IUPAC Name: 3-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid | CAS Registry Number: 612044-42-5
Synonyms: F9995-0003, AC1MRGTY, CTK2F1762, 3-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic Acid, MolPort-000-184-688, AKOS000805760, MCULE-6151902685, 3-(4-(2-methoxyphenoxy)phenylsulfonamido)benzoic acid, 3-({[4-(2-methoxyphenoxy)phenyl]sulfonyl}amino)benzoic acid, Benzoicacid, 3-[[[4-(2-methoxyphenoxy)phenyl]sulfonyl]amino]-

Molecular Formula: C20H17NO6SMolecular Weight: 399.417080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: KQGHUSZNYWFNEM-UHFFFAOYSA-N

• 3-(8-quinolylsulfonamido)benzoic acid
IUPAC Name: 3-(quinolin-8-ylsulfonylamino)benzoic acid | CAS Registry Number: 209173-94-4
Synonyms: SMR000097467, ChemDiv2_005051, CBKinase1_003742, CBKinase1_016142, AC1LF9E7, MLS000120622, CTK0J9609, MolPort-000-683-809, HMS1383F13, HMS2258B06, STK183649, AKOS000805780, MCULE-5743590743, IDI1_003766, 3-(quinolin-8-ylsulfonylamino)benzoic acid, ST50488294, 3-[(quinolin-8-ylsulfonyl)amino]benzoic acid, Benzoicacid, 3-[(8-quinolinylsulfonyl)amino]-, BRD-K18629215-001-01-0

Molecular Formula: C16H12N2O4SMolecular Weight: 328.342480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: CLILVEMCMVDPJI-UHFFFAOYSA-N

• 1-ethyl-4-{(E)-3-[1-ethyl-4(1H)-quinolinylidene]-1-propenyl}quinolinium bromide
IUPAC Name: (4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;bromide | CAS Registry Number: 19764-88-6
Synonyms: NK 36, MFCD06409816, AKOS000814388, MCULE-4634482208, 1,1'-Diethyl-4,4'-carbocyanine bromide

Molecular Formula: C25H25BrN2Molecular Weight: 433.393 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QRRYUUHAKZXUIQ-UHFFFAOYSA-M

• 1-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)piperazine
IUPAC Name: 1-(1-phenyltetrazol-5-yl)piperazine | CAS Registry Number: 198209-80-2
Synonyms: 1-(1-PHENYL-1H-TETRAZOL-5-YL)PIPERAZINE, F9995-0040, 1-(1-phenyltetrazol-5-yl)piperazine, AC1MY3HV, SCHEMBL2711488, CTK7D1712, MolPort-002-033-333, YEJXVAVZMPQAIT-UHFFFAOYSA-N, AKOS000124040, CCG-151415, MCULE-3112930795, Piperazine,1-(1-phenyl-1H-tetrazol-5-yl)-, L-2781, AB00994305-01, 1-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazine

Molecular Formula: C11H14N6Molecular Weight: 230.269060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YEJXVAVZMPQAIT-UHFFFAOYSA-N

• 6-hydroxy-4-methyl-2-oxo-2H-chromene-3-carboxylic acid
IUPAC Name: 6-hydroxy-4-methyl-2-oxochromene-3-carboxylic acid | CAS Registry Number: 435297-35-1
Synonyms: CTK1D4890, AKOS015958412, MCULE-5835046515, 2H-1-Benzopyran-3-carboxylicacid, 6-hydroxy-4-methyl-2-oxo-

Molecular Formula: C11H8O5Molecular Weight: 220.178220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NAKYXMFBKWCPCQ-UHFFFAOYSA-N

• 3-(3,5-ditert-butylphenyl)propanoic acid
IUPAC Name: 3-(3,5-ditert-butylphenyl)propanoic acid | CAS Registry Number: 42288-01-7
Synonyms: SureCN9702460, CTK1D4889, AKOS015958501, 3-(3,5-di-tert-butylphenyl)propanoic acid, Benzenepropanoicacid, 3,5-bis(1,1-dimethylethyl)-, F9995-0932

Molecular Formula: C17H26O2Molecular Weight: 262.387140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WTYBGPKEFLHQFK-UHFFFAOYSA-N

• 3-(5-bromo-2-methoxyphenyl)propanoic acid
IUPAC Name: 3-(5-bromo-2-methoxyphenyl)propanoic acid | CAS Registry Number: 82547-30-6
Synonyms: SureCN7994543, CTK3E6205, MolPort-003-781-810, STL216032, AKOS002339365, MCULE-4385883792, Benzenepropanoic acid, 5-bromo-2-methoxy-, ST45239198, ST50968601, EN300-82786, T7106688, F9995-0934

Molecular Formula: C10H11BrO3Molecular Weight: 259.096540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RCLIOLQUIYTUPY-UHFFFAOYSA-N

• 5-(2-methylphenyl)-1,3,4-oxadiazole-2-thiol
IUPAC Name: 5-(2-methylphenyl)-3H-1,3,4-oxadiazole-2-thione | CAS Registry Number: 2503-66-4
Synonyms: 5-o-Tolyl-3H-[1,3,4]oxadiazole-2-thione, AG-690/11667207, AC1LGNJG, AC1Q2NQO, ChemDiv2_000218, MLS000029608, CTK8A8670, CTK8F6392, MolPort-000-932-267, MolPort-002-029-546, HMS1369J20, HMS2304F03, BBL003595, CCG-15890, STK803252, AKOS000117845, AKOS000678822, AG-A-80076, MCULE-5916812342, BAS 00654350

Molecular Formula: C9H8N2OSMolecular Weight: 192.237620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HNFIJWNVPWXSOL-UHFFFAOYSA-N

• 4-chloro-6-methoxy-7-quinazolinol hydrochloride
IUPAC Name: 4-chloro-6-methoxy-3H-quinazolin-7-one;hydrochloride | CAS Registry Number: 1182284-38-3
Synonyms: AKOS015958442, 4-chloro-6-methoxy-quinazolin-7-ol hydrochloride

Molecular Formula: C9H8Cl2N2O2Molecular Weight: 247.075 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GQDZXRMYTSDVMT-UHFFFAOYSA-N

• 3-fluoro-5-iodoaniline hydrochloride
IUPAC Name: 3-fluoro-5-iodoaniline;hydrochloride | CAS Registry Number: 1182284-39-4
Synonyms: AKOS015958466, F9995-0985

Molecular Formula: C6H6ClFINMolecular Weight: 273.474 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KPHUITXCEHINNB-UHFFFAOYSA-N

• 3-methoxy-2-propyl-2H-indazole-6-carboxylic acid (CAS: 919106-91-5)
• 3-ethoxy-2-(2-methoxyethyl)-2H-indazole-6-carboxylic acid
IUPAC Name: 3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxylic acid | CAS Registry Number: 919106-94-8
Synonyms: CTK3I5629, AKOS015958456, 2H-Indazole-6-carboxylicacid, 3-ethoxy-2-(2-methoxyethyl)-

Molecular Formula: C13H16N2O4Molecular Weight: 264.277140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FHWXCJZCEBNWNS-UHFFFAOYSA-N

• 4-[5-(4-pyridinyl)-5,6,7,8-tetrahydro-2-naphthalenyl]-1,2-benzenediol (CAS: 1051380-49-4)
• 2,2-dimethylcyclopentanol
IUPAC Name: 2,2-dimethylcyclopentan-1-ol | CAS Registry Number: 37617-33-7
Synonyms: 2,2-dimethylcyclopentan-1-ol, F9995-1053, Cyclopentanol, 2,2-dimethyl-, (R)-, Cyclopentanol, 2,2-dimethyl-, (S)-, ACMC-20mcdc, ACMC-20m6dd, AGN-PC-00MOQQ, SureCN1660636, Cyclopentanol, 2,2-dimethyl-, CTK1C0730, 103532-77-0, 109530-56-5, AKOS006343556, MCULE-4878410443

Molecular Formula: C7H14OMolecular Weight: 114.185460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HHZBHIQGEGSCJF-UHFFFAOYSA-N

• 1,3-dimethyl-2,4-dioxo-7-propyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
IUPAC Name: 1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid | CAS Registry Number: 1018256-11-5
Synonyms: F9995-1057, MolPort-005-272-382, AKOS004912031, MCULE-6536498992, 1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Molecular Formula: C12H15N3O4Molecular Weight: 265.265200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FERLIHFSJYFMMP-UHFFFAOYSA-N

• 1,3-dimethyl-2,4-dioxo-6-[(tetrahydro-2-furanylmethyl)amino]-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde (CAS: 1018501-36-4)
• 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4(3H)-one
IUPAC Name: 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one | CAS Registry Number: 72553-67-4
Synonyms: ZINC04109915, AC1MWU9I, SureCN4873292, MLS000696345, CTK2H2340, MolPort-002-887-459, HMS2601I07, AKOS005110375, MCULE-7977056660, MS-2837, SMR000337534, 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one, 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxyethyl)-

Molecular Formula: C9H9N3O2Molecular Weight: 191.186660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OENHVTAMUAZEKH-UHFFFAOYSA-N

• 3-[(2-hydroxyethoxy)methyl]-1,2,3-benzotriazin-4(3H)-one
IUPAC Name: 3-(2-hydroxyethoxymethyl)-1,2,3-benzotriazin-4-one | CAS Registry Number: 1086386-44-8
Synonyms: AKOS015958408, 3-[(2-hydroxyethoxy)methyl]-1,2,3-benzotriazin-4(3h)-one

Molecular Formula: C10H11N3O3Molecular Weight: 221.216 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SZQXEYBCCPTRTJ-UHFFFAOYSA-N

• 3-(4-fluorophenoxy)benzoic acid
IUPAC Name: 3-(4-fluorophenoxy)benzoic acid | CAS Registry Number: 149634-49-1
Synonyms: 3-(4-fluorophenoxy)benzoic Acid, Benzoicacid, 3-(4-fluorophenoxy)-, ACMC-20n5ru, AC1MNOC5, SureCN2427519, CTK0G9380, MolPort-001-778-645, 3-(4-Fluoro-phenoxy)benzoic acid, 3PBD-Q05-0, 3-(4-Fluoro-phenoxy)-benzoic acid, AR1580, STL302079, AKOS013259397, AG-A-52390, MCULE-4680545979, KB-27080, F3397-0002

Molecular Formula: C13H9FO3Molecular Weight: 232.207163 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JEZVFQIMFSGLFL-UHFFFAOYSA-N

• 2,2,2-trifluoro-N-(2-pyridinylmethyl)acetamide
IUPAC Name: 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide | CAS Registry Number: 401575-24-4
Synonyms: 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide, ST51016424, 2,2,2-trifluoro-N-(2-pyridylmethyl)acetamide, AC1N4P5G, STL302083, ZINC05937010, AKOS003847342, AB14000, MCULE-9180772880, 2,2,2-TRIFLUORO-N-(2-PYRIDINYLMETHYL)ACETAMIDE, F9995-1099

Molecular Formula: C8H7F3N2OMolecular Weight: 204.149190 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SCEMKHWGDPXKIJ-UHFFFAOYSA-N

• 2-amino-4-hydroxy-5-methoxybenzoic acid
IUPAC Name: 2-amino-4-hydroxy-5-methoxybenzoic acid | CAS Registry Number: 63407-32-9
Synonyms: SureCN1663313, CTK2F1769, AKOS015958649, Benzoicacid, 2-amino-4-hydroxy-5-methoxy-

Molecular Formula: C8H9NO4Molecular Weight: 183.161360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: IEVFOUHGGVWJJD-UHFFFAOYSA-N

• 1,3-dihydrospiro[benzimidazole-2,1'-cyclohexane]
IUPAC Name: spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] | CAS Registry Number: 3190-03-2
Synonyms: SPIRO[3-AZAINDOLINE-2,1'-CYCLOHEXANE], AC1LE9H7, Oprea1_257783, SCHEMBL8655732, CTK5J6896, ZINC97479, MolPort-000-882-591, YWEQCYWQCBWFMN-UHFFFAOYSA-N, MFCD00089091, AKOS000279522, MCULE-2529522412, MS-9970, AK221595, HE288042, Spiro[1H-benzimidazole-2(3H),1'-cyclohexane], SPIRO(CYCLOHEXANE-1,2'-BENZIMIDAZOLINE), spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane], 1,3-dihydrospiro[2H-benzimidazole-2,1'-cyclohexane], 1,3-Dihydrospiro[benzo[d]imidazole-2,1'-cyclohexane], Spiro[2H-benzimidazole-2,1'-cyclohexane], 1,3-dihydro-

Molecular Formula: C12H16N2Molecular Weight: 188.274 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YWEQCYWQCBWFMN-UHFFFAOYSA-N

• 4H-1,2,4-triazol-4-ylacetic acid
IUPAC Name: 2-(1,2,4-triazol-4-yl)acetic acid | CAS Registry Number: 110822-97-4
Synonyms: 2-(4H-1,2,4-triazol-4-yl)acetic acid, AC1Q75VB, AGN-PC-00JY6J, SureCN2824968, 1,2,4-triazol-4-ylacetic acid, 4H-1,2,4-Triazole-4-acetic acid, AKOS011550616, MCULE-3454837161, AK125861, EN300-66263, T6982050, F2167-0141

Molecular Formula: C4H5N3O2Molecular Weight: 127.101400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NPLHXOPRCBNQFM-UHFFFAOYSA-N

• (2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
IUPAC Name: (2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol | CAS Registry Number: 16880-87-8
Synonyms: (2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol, F2167-0188, AC1LBVJB, SureCN6651633, (2-Methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methanol, AKOS006334782, 1,2,3,4-Tetrahydro-3-hydroxymethyl-2-methylisoquinoline

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SWUVPLABKHJMQA-UHFFFAOYSA-N

• 1-CHLORO-3-CYCLOHEXYLAMINO-PROPAN-2-OL
IUPAC Name: 1-chloro-3-(cyclohexylamino)propan-2-ol | CAS Registry Number: 61272-39-7
Synonyms: 1-chloro-3-(cyclohexylamino)propan-2-ol, NSC66039, AC1L6MSN, AC1Q3TVJ, SureCN9476242, MolPort-001-764-459, AR-1C2300, NSC-66039, SBB010141, 1-chloro-3-cyclohexylaminopropan-2-ol, AKOS005199405, AG-A-19452, AG-A-19458, MCULE-7228244822, OR25670, 1-Chloro-3-cyclohexylamino-propan-2-ol, 3-chloro-1-(cyclohexylamino)propan-2-ol, KB-152559

Molecular Formula: C9H18ClNOMolecular Weight: 191.698320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GTJMFOHODNLXNN-UHFFFAOYSA-N

• 1-(4-benzyl-1-piperazinyl)-2,2,2-trifluoro-1-ethanone
IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone | CAS Registry Number: 2803-00-1
Synonyms: 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanone, N-benzylpiperazine, TFA, AC1NQ69K, MolPort-006-758-138, VZIHGMYACKUQQJ-UHFFFAOYSA-N, STL302084, ZINC23379223, AKOS003789303, 4-Benzyl-1-(trifluoroacetyl)piperazine, MCULE-2418789656, 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one, F9995-1103

Molecular Formula: C13H15F3N2OMolecular Weight: 272.266210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: VZIHGMYACKUQQJ-UHFFFAOYSA-N

• 2-chloro-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone
IUPAC Name: 2-chloro-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone | CAS Registry Number: 315710-85-1
Synonyms: 2-chloro-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone, F1143-4021, 2-chloro-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone, 2-Chloro-1-(1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, ZINC00090191, ACMC-209hnp, AC1Q2HMF, AC1LE2D5, CTK6H4649, MolPort-000-223-430, ANW-27155, STL306104, AKOS000343494, AG-A-38978, MCULE-6444727240, AK-95202, KB-229288, ST50051031, EN300-10146, T0513-7899

Molecular Formula: C14H13ClFNOMolecular Weight: 265.710523 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UMSNWZWJTFGFSJ-UHFFFAOYSA-N

• 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide
IUPAC Name: 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide | CAS Registry Number: 1182284-30-5
Synonyms: 6-hydroxytetralin-5-carboxamide, AKOS015958624

Molecular Formula: C11H13NO2Molecular Weight: 191.230 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CLKCJUOLWQHDPC-UHFFFAOYSA-N

• 6-(ethoxycarbonyl)-5-hydroxyindane-4-carboxylic acid
IUPAC Name: 6-ethoxycarbonyl-5-hydroxy-2,3-dihydro-1H-indene-4-carboxylic acid | CAS Registry Number: 1182284-50-9
Synonyms: AKOS015958625

Molecular Formula: C13H14O5Molecular Weight: 250.250 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BFURMYOPFIJBSN-UHFFFAOYSA-N

• 2-(4-chlorophenyl)-1,3-benzothiazole-6-carboxylic acid
IUPAC Name: 2-(4-chlorophenyl)-1,3-benzothiazole-6-carboxylic acid | CAS Registry Number: 1176114-71-8
Synonyms: CTK0G9212, AKOS015958825, 6-Benzothiazolecarboxylicacid, 2-(4-chlorophenyl)-

Molecular Formula: C14H8ClNO2SMolecular Weight: 289.736820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QWZONVQCRUTIIN-UHFFFAOYSA-N

• 2-amino-2-(2-fluorophenyl)acetic acid
IUPAC Name: 2-amino-2-(2-fluorophenyl)acetic acid

Molecular Formula: C8H8FNO2Molecular Weight: 169.153023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CGNMJIBUVDGMIY-UHFFFAOYSA-N

• 2-amino-2-(2-chlorophenyl)acetic acid
IUPAC Name: 2-amino-2-(2-chlorophenyl)acetic acid

Molecular Formula: C8H8ClNO2Molecular Weight: 185.607620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LMIZLNPFTRQPSF-UHFFFAOYSA-N

• 2-amino-2-(3-fluorophenyl)acetic acid
IUPAC Name: 2-amino-2-(3-fluorophenyl)acetic acid

Molecular Formula: C8H8FNO2Molecular Weight: 169.153023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LVYBCZIDQKJNFP-UHFFFAOYSA-N

• 1-butyl-2-{(1E,3E)-5-[1-butyl-6-(phenylsulfanyl)benzo[cd]indol-2(1H)-ylidene]-1,3-pentadienyl}-6-(phenylsulfanyl)benzo[cd]indolium tetrafluoroborate
• 2-[(3,3-dimethyl-1-neopentyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-4-[(Z)-(3,3-dimethyl-1-neopentyl-3H-indolium-2-yl)methylidene]-3-oxo-1-cyclobuten-1-olate
• 2-{[3,3-dimethyl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)-1,3-dihydro-2H-indol-2-ylidene]methyl}-4-{(Z)-[3,3-dimethyl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)-3H-indolium-2-yl]methylidene}-3
• 1,1'-biphenyl-4-amine
IUPAC Name: 4-phenylaniline

Molecular Formula: C12H11NMolecular Weight: 169.222440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DMVOXQPQNTYEKQ-UHFFFAOYSA-N

• 2-chloro-N-[5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
IUPAC Name: 2-chloro-N-[5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide

Molecular Formula: C11H10ClN3O2SMolecular Weight: 283.734000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FKLBTGVJYRLPLS-UHFFFAOYSA-N

• 2-chloro-N-[5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
IUPAC Name: 2-chloro-N-[5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide

Molecular Formula: C12H12ClN3O3SMolecular Weight: 313.759980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: VGDMJNNJSGMNCN-UHFFFAOYSA-N

• 4-chloro-5-(3,4-dimethylphenyl)-2-methylthieno[2,3-d]pyrimidine
IUPAC Name: 4-chloro-5-(3,4-dimethylphenyl)-2-methylthieno[2,3-d]pyrimidine

Molecular Formula: C15H13ClN2SMolecular Weight: 288.795120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JJZPHNHRAKPXMO-UHFFFAOYSA-N

• 4-(2H-tetrazol-5-yl)morpholine
IUPAC Name: 4-(2H-tetrazol-5-yl)morpholine

Molecular Formula: C5H9N5OMolecular Weight: 155.157860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UOBHSAXFHWPZJB-UHFFFAOYSA-N

• (5-piperidin-1-yl-2H-tetrazol-2-yl)acetic acid

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