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• Alpha,Alpha,Alpha',Alpha'-Tetrabromo-O-Xylene
IUPAC Name: 1,2-bis(dibromomethyl)benzene | CAS Registry Number: 13209-15-9
Synonyms: Tetrabromo-o-xylene, 1,2-Bis(dibromomethyl)benzene, o-Xylene, tetrabromo-, Ambmblo797905, Benzene, 1,2-bis(dibromomethyl)-, T5605_ALDRICH, a,a,a',a'-tetrabromo-o-xylene, NSC38607, EINECS 236-176-2, NSC 38607, alpha,alpha,alpha',alpha'-Tetrabromo-o-xylene, CID83234, alpha,alpha,beta,beta-Tetrabromo-o-xylene, LS-184959, o-Xylene, alpha,alpha,alpha',alpha'-tetrabromo-, .alpha.,.alpha.,.alpha.',.alpha.'-Tetrabromo-o-xylene, o-Xylene, .alpha.,.alpha.,.alpha.',.alpha.'-tetrabromo-, InChI=1/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8, 31091-14-2

Molecular Formula: C8H6Br4Molecular Weight: 421.749240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LNAOKZKISWEZNY-UHFFFAOYSA-N

• Anisil
IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione | CAS Registry Number: 1226-42-2
Synonyms: p-Anisil, 4,4'-Dimethoxybenzil, Di-p-anisoyl, p,p'-Dimethoxybenzil, Benzil-based compound, 21, Bis(4-methoxyphenyl)ethanedione, 159611_ALDRICH, Ethanedione, bis(4-methoxyphenyl)-, AIDS018008, AIDS-018008, NSC19218, EINECS 214-960-5, NSC 19218, NSC602910, ZINC01566855, 1,2-Bis(4-methoxyphenyl)-1,2-ethanedione, 1,2-bis(4-methoxyphenyl)ethane-1,2-dione, AI3-51933, ST5331256, EU-0000057

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YNANGXWUZWWFKX-UHFFFAOYSA-N

• Benzeneacetic Acid, 4-[(acetyloxy)methyl]-
IUPAC Name: 2-[4-(acetyloxymethyl)phenyl]acetic acid | CAS Registry Number: 61165-81-9
Synonyms: 4-ACETOXYMETHYLPHENYLACETIC ACID, SureCN9127061, AGN-PC-0047M5, CTK5B2784, AKOS005064449, AG-G-22590, KB-239862, Benzeneacetic acid, 4-[(acetyloxy)methyl]-

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WTGLCAJZNIBTQQ-UHFFFAOYSA-N

• Benzoic acid, 4-cyano-3-nitro-, ethyl ester
IUPAC Name: ethyl 4-cyano-3-nitrobenzoate | CAS Registry Number: 321162-58-7
Synonyms: ETHYL 4-CYANO-3-NITROBENZOATE, SureCN4181730, ethyl 4-cyano-3-nitro-benzoate, CTK4G8232, Ethyl 4-cyano-3-nitro-benzoate;, AG-F-07199, 4-cyano-3-nitrobenzoic acid ethyl ester, AK141788, Benzoicacid, 4-cyano-3-nitro-, ethyl ester, A821135

Molecular Formula: C10H8N2O4Molecular Weight: 220.181520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: MGNXPEPCKZZLQP-UHFFFAOYSA-N

• Benzoyl acetone
IUPAC Name: 1-phenylbutane-1,3-dione | CAS Registry Number: 93-91-4
Synonyms: Benzoylacetone, Acetoacetophenone, 1-Benzoylacetone, Acetylbenzoylmethane, 2-Acetylacetophenone, 1-Benzoyl-2-propanone, 2-Propanone, benzoyl-, 1,3-Butanedione, 1-phenyl-, 1-Phenylbutane-1,3-dione, alpha-Acetylacetophenone, .alpha.-Acetylacetophenone, Benzoyl-aceton [German], 1-PHENYL-1,3-BUTANEDIONE, 1-Phenyl-1,3-butanedion, omega-ACETYLACETOPHENONE, B11907_ALDRICH, NSC 4015, 12830_FLUKA, EINECS 202-286-4, CID7166

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CVBUKMMMRLOKQR-UHFFFAOYSA-N

• Benzyl 4-chlorophenyl ketone
IUPAC Name: 1-(4-chlorophenyl)-2-phenylethanone | CAS Registry Number: 1889-71-0
Synonyms: 4-Chlorodeoxybenzoin, NCIOpen2_006717, MLS000851416, 4-CHLORODESOXY BENZOIN, 631345_ALDRICH, 4'-Chloro-2-phenylacetophenone, 1-(4-chlorophenyl)-2-phenylethanone, NSC32891, NSC99455, ZINC00143931, 1-(4-chlorophenyl)-2-phenylethan-1-one, SMR000457859, ST5406990, AE-641/00686010

Molecular Formula: C14H11ClOMolecular Weight: 230.689540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DXVALSKCLLBZEB-UHFFFAOYSA-N

• Benzyl 4-hydroxyphenyl ketone
IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone | CAS Registry Number: 2491-32-9
Synonyms: 4'-Hydroxydeoxybenzoin, Maybridge3_000426, Oprea1_841974, B23077_ALDRICH, NSC60474, 4'-Hydroxy-2-phenylacetophenone, Acetophenone, 4'-hydroxy-2-phenyl-, CID75607, EINECS 219-654-5, ZINC00134606, Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-, IDI1_011813, ST5319685, SR-01000643222-1

Molecular Formula: C14H12O2Molecular Weight: 212.243880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JBQTZLNCDIFCCO-UHFFFAOYSA-N

• Benzylmalonic Acid
IUPAC Name: 2-benzylpropanedioic acid | CAS Registry Number: 616-75-1
Synonyms: Benzylmalonic acid, Benzomalonate acid, 2-Benzylmalonate, 2-Benzylmalonic acid, Benzlmalonic acid, Malonic acid, 2-benzyl-, USAF XR-36, MALONIC ACID, BENZYL-, WLN: QVYVQ1R, beta-Phenylisosuccinic acid, Propanedioic acid, (phenylmethyl)-, 100773_ALDRICH, NSC 8068, 13530_FLUKA, EINECS 210-491-5, NSC8068, 1,1-Ethanedicarboxylic acid, 2-phenyl-, CID12031, BRN 0643530, AI3-23865

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JAEJSNFTJMYIEF-UHFFFAOYSA-N

• Chlorodimethylpentafluorophenylsilane
IUPAC Name: chloro-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane | CAS Registry Number: 20082-71-7
Synonyms: Flophemesyl chloride, Pentafluorophenyldimethylchlorosilane, 76750_FLUKA, CID88361, EINECS 243-506-9, (Pentafluorophenyl)dimethylchlorosilane, Chlorodimethyl(pentafluorophenyl)silane, Silane, chlorodimethyl(pentafluorophenyl)-, Benzene, 1-(chlorodimethylsilyl)-2,3,4,5,6-pentafluoro-

Molecular Formula: C8H6ClF5SiMolecular Weight: 260.663756 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PQRFRTCWNCVQHI-UHFFFAOYSA-N

• Chromone-2-carboxylic acid
IUPAC Name: 4-oxochromene-2-carboxylic acid | CAS Registry Number: 4940-39-0
Synonyms: chromocarb, Atremon, Chromocarb (INN), Chromonecarboxylic acid, Chromocarbe [INN-French], Chromocarbum [INN-Latin], Cromocarbo [INN-Spanish], Chromocarb [DCF:INN], Chromocarb [INN:DCF], Spectrum3_000708, Spectrum4_000953, LP-1, Oprea1_123976, BSPBio_002495, KBioGR_001566, MLS000881215, DivK1c_000471, O8755_SIGMA, SPECTRUM1503044, 189782_ALDRICH

Molecular Formula: C10H6O4Molecular Weight: 190.152240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RVMGXWBCQGAWBR-UHFFFAOYSA-N

• Chromone-3-carboxylic acid
IUPAC Name: 4-oxochromene-3-carboxylic acid | CAS Registry Number: 39079-62-4
Synonyms: Maybridge1_005842, 532576_ALDRICH, CID181620, 4-oxo-4H-chromene-3-carboxylic acid, ST5307799

Molecular Formula: C10H6O4Molecular Weight: 190.152240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PCIITXGDSHXTSN-UHFFFAOYSA-N

• Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 1149-23-1
Synonyms: Diludine, Ethidine, Hantzsch ester, Diethone, Etidin, diludin, ethidin, Hantzsch's dihydropyridine, DM-DEOC-DHP, Maybridge1_005647, ChemDiv2_005231, Oprea1_780789, MLS000060889, MLS000737519, DivK1c_001935, 120227_ALDRICH, NSC 3344, C13H19NO4, EINECS 214-561-6, ZERO/000548

Molecular Formula: C13H19NO4Molecular Weight: 253.294260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LJXTYJXBORAIHX-UHFFFAOYSA-N

• Diphenic Anhydride
IUPAC Name: benzo[d][2]benzoxepine-5,7-dione | CAS Registry Number: 6050-13-1
Synonyms: Diphenic anhydride, diphenic acid anhydride, NCIOpen2_003417, 2,2'-Biphenyldicarboxylic anhydride, Dibenz(c,e)oxepin-5,7-dione, Dibenz[c,e]oxepin-5,7-dione, 148903_ALDRICH, dibenzo[c,e]oxepine-5,7-dione, 2,2'-Diphenyldicarboxylic anhydride, CID72794, NSC67689, EINECS 227-950-0, NSC 67689, NSC116225, ZINC00388294, Biphenyl-2,2'-dicarboxylic anhydride, NSC 116225, 2,2'-Biphenyl-dicarboxylic acid anhydride, TL8003829, LT03381397

Molecular Formula: C14H8O3Molecular Weight: 224.211520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RTSGJTANVBJFFJ-UHFFFAOYSA-N

• Ethyl 3-Aminobenzofuran-2-Carboxylate
IUPAC Name: ethyl 3-amino-1-benzofuran-2-carboxylate | CAS Registry Number: 39786-35-1
Synonyms: Enamine_001390, Oprea1_566336, MLS000569389, 642363_ALDRICH, ZINC02566857, ALBB-006057, Ethyl 3-aminobenzofuran-2-carboxylate, CID2063537, BBV-00026362, ethyl 3-amino-1-benzofuran-2-carboxylate, SMR000155002

Molecular Formula: C11H11NO3Molecular Weight: 205.209940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PWOARNMOPCOJEV-UHFFFAOYSA-N

• Ethyl 4-Bromophenylacetate
IUPAC Name: ethyl 2-(4-bromophenyl)acetate | CAS Registry Number: 14062-25-0
Synonyms: Ethyl 4-bromophenylacetate, 631353_ALDRICH, ZINC02565978, CID7020609, TL806236, ST5408626

Molecular Formula: C10H11BrO2Molecular Weight: 243.097140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZFDCWHPNBWPPHG-UHFFFAOYSA-N

• Ethyl 4-pyrazolecarboxylate
IUPAC Name: ethyl 1H-pyrazole-4-carboxylate | CAS Registry Number: 37622-90-5
Synonyms: 4-Acetylpyrazole, Ethyl 1H-pyrazole-4-carboxylate, 300780_ALDRICH, CID142179, ZINC00409316, TL8002769

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KACZQOKEFKFNDB-UHFFFAOYSA-N

• M-Aminobenzoic Acid
IUPAC Name: 3-aminobenzoic acid | CAS Registry Number: 99-05-8
Synonyms: m-Carboxyaniline, m-Aminobenzoic acid, 3-Carboxyaniline, gabaculine, Benzoic acid, 3-amino-, 3-AMINOBENZOIC ACID, Benzoic acid, m-amino-, MABA, m-Aminobenzoesaeure, 3-Aminobenzoesaeure, meta-aminobenzoic acid, Aniline-3-carboxylic acid, WLN: ZR CVQ, Oprea1_172994, C7H7NO2, MLS000069458, MLS001076476, 127671_ALDRICH, 06920_FLUKA, CHEBI:42682

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XFDUHJPVQKIXHO-UHFFFAOYSA-N

• Methyl 2-Bromo-5-nitrobenzoate
IUPAC Name: methyl 2-bromo-5-nitrobenzoate | CAS Registry Number: 6942-36-5
Synonyms: Ambap1695, Methyl 2-bromo-5-nitrobenzoate, NCIOpen2_002533, 300217_ALDRICH, NSC57462, CID245494, ZINC00056674, FR-2397, ST5307682

Molecular Formula: C8H6BrNO4Molecular Weight: 260.041540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VSEYYEKRZNRECT-UHFFFAOYSA-N

• Methyl 2-bromomethylbenzoate
IUPAC Name: methyl 2-(bromomethyl)benzoate | CAS Registry Number: 2417-73-4
Synonyms: Ambap4153, ZINC02580764, CID2734813, TL8001990

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QKASDIPENBEWBU-UHFFFAOYSA-N

• Methyl 3-iodo-4-methyl benzoate
IUPAC Name: methyl 3-iodo-4-methylbenzoate | CAS Registry Number: 90347-66-3
Synonyms: METHYL 3-IODO-4-METHYLBENZOATE, SBB068078, AG-H-70368, 3-Iodo-4-methylbenzoic acid methyl ester, Methyl 3-iodo-p-toluate, AGN-PC-00NAQY, SureCN1232173, KSC495M1R, AC1Q430V, Methyl-3-Iodo-4-Methylbenzoate, CTK3J5618, Methyl 3-Iodo-4-Methyl-Benzoate, MolPort-001-760-365, 2-Iodo-4-(methoxycarbonyl)toluene, ACN-S004274, ACT08424, ANW-39466, RW3424, ZINC02559798, AKOS015852340

Molecular Formula: C9H9IO2Molecular Weight: 276.071030 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NKMHAOTZPFVSPC-UHFFFAOYSA-N

• METHYL 4-AMINO-3-NITROBENZOATE
IUPAC Name: methyl 4-amino-3-nitrobenzoate | CAS Registry Number: 3987-92-6
Synonyms: methyl 4-amino-3-nitrobenzoate, Methyl 4-amino-3-nitrobenzenecarboxylate, 4-(Methoxycarbonyl)-2-nitroaniline, 4-Amino-3-nitrobenzoicacidmethylester, 4-AMINO-3-NITROMETHYLBENZOATE, AG-F-40929, 2-Amino-5-(methoxycarbonyl)nitrobenzene, 4-Amino-3-nitro-benzoic acid methyl ester, BENZOIC ACID, 4-AMINO-3-NITRO-, METHYL ESTER, AC1N0OBV, ACMC-209j8j, AC1Q42WA, SureCN2720856, KSC495Q5N, methylaminonitrobenzenecarboxylate, CTK3J5856, MolPort-001-758-226, ACT07410, ANW-29201, SBB091966

Molecular Formula: C8H8N2O4Molecular Weight: 196.160120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HNTLUEZVPLRQEV-UHFFFAOYSA-N

• Methyl 5-chloro-2-nitrobenzoate
IUPAC Name: methyl 5-chloro-2-nitrobenzoate | CAS Registry Number: 51282-49-6
Synonyms: 579823_ALDRICH, EINECS 257-107-2, ZINC00163347, ST5307785, Benzoic acid, 5-chloro-2-nitro-, methyl ester

Molecular Formula: C8H6ClNO4Molecular Weight: 215.590540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JGBJHRKCUKTQOE-UHFFFAOYSA-N

• N-(Hydroxymethyl)acetamide
IUPAC Name: N-(hydroxymethyl)acetamide | CAS Registry Number: 625-51-4
Synonyms: Formicin, Acetamidomethanol, N-methylolacetamide, Acetamide, N-(hydroxymethyl)-, N-Hydroxymethylacetamide, 00315_FLUKA, EINECS 210-897-2, BRN 0506226, ZINC01845925, LS-9717, TL8004182, 4-02-00-00405 (Beilstein Handbook Reference), InChI=1/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6

Molecular Formula: C3H7NO2Molecular Weight: 89.093180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HWJHZLJIIWOTGZ-UHFFFAOYSA-N

• o-Methoxyacetophenone
IUPAC Name: 1-(2-methoxyphenyl)ethanone | CAS Registry Number: 579-74-8
Synonyms: o-Acetylanisole, 2-Methoxyacetophenone, o-Acetanisole, 2-Acetylanisole, 2'-Methoxyacetophenone, ortho-Methoxyacetophenone, 2-Methyoxyacetophenone oxime, 1-(2-Methoxyphenyl)ethanone, .alpha.-Methoxyacetophenone, Acetophenone, 2'-methoxy-, Ethanone, 1-(2-methoxyphenyl)-, M9203_ALDRICH, 1-(2-Methoxyphenyl)ethan-1-one, Acetophenone, 2'-methoxy- (8CI), NSC23387, NSC26912, EINECS 209-446-2, NSC 23387, ZINC01602584, AI3-05503

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DWPLEOPKBWNPQV-UHFFFAOYSA-N

• Ocinaplon
IUPAC Name: pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone | CAS Registry Number: 96604-21-6
Synonyms: Ocinaplon [USAN:INN], Ocinaplon (USAN/INN), UNII-2H6KVC5E76, C17H11N5O, CID216456, CL 273547, LS-178317, D02617, 2-Pyridinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)methanone, 2-Pyridyl 7-(4-pyridyl)pyrazolo(1,5-a)pyrimidin-3-yl ketone, Methanone, 2-pyri(dinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-;, Methanone, 2-pyridinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-

Molecular Formula: C17H11N5OMolecular Weight: 301.302140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OQJFBUOFGHPMSR-UHFFFAOYSA-N

• P-Fluorobenzoic Acid
IUPAC Name: 4-fluorobenzoic acid | CAS Registry Number: 456-22-4
Synonyms: p-Fluorobenzoic acid, 4-FLUOROBENZOIC ACID, 4-Fluorobenzoate, Benzoic acid, 4-fluoro-, Benzoic acid, p-fluoro-, para-Fluorobenzoic acid, 128384_ALDRICH, 418846_ALDRICH, 46600_FLUKA, CHEBI:20364, Benzoic acid, p-fluoro- (8CI), NSC10321, EINECS 207-259-0, NSC 10321, SBB008568, FR-2272, TL8003173, C02371, InChI=1/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10, 499-90-1

Molecular Formula: C7H5FO2Molecular Weight: 140.111803 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BBYDXOIZLAWGSL-UHFFFAOYSA-N

• P-Hydroxythiophenol
IUPAC Name: 4-sulfanylphenol | CAS Registry Number: 637-89-8
Synonyms: 4-Mercaptophenol, 4-Hydroxythiophenol, p-Hydroxythiophenol, Thiohydroquinone, p-Mercaptophenol, Monothiohydroquinone, 4-Hydroxybenzenethiol, Hydroquinone, monothio-, Phenol, p-mercapto-, Phenol, 4-mercapto-, USAF B-57, WLN: L6V DYJ DUS, Phenol, p-mercapto- (8CI), Phenol, 4-mercapto- (9CI), 275395_ALDRICH, 559938_ALDRICH, 63764_FLUKA, EINECS 211-307-6, NSC 46192, NSC46192

Molecular Formula: C6H6OSMolecular Weight: 126.176240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BXAVKNRWVKUTLY-UHFFFAOYSA-N

• Phenylglyoxylic Acid
IUPAC Name: 2-oxo-2-phenylacetic acid | CAS Registry Number: 611-73-4
Synonyms: Phenylglyoxylic acid, BENZOYLFORMIC ACID, Benzoylformate, Phenylglyoxalate, Phenylglyoxylate, Benzeneglyoxylic acid, Phenylgloxylic acid, Oxophenylacetic acid, Phenyloxoacetic acid, 2-Phenylethanoic acid, oxo(phenyl)acetic acid, 2-Oxo-2-phenylacetic acid, Formic acid, benzoyl-, Glyoxylic acid, phenyl-, 2-Oxo-2-phenylacetate, alpha-Ketophenylacetic acid, Ambap3005, alpha-Oxobenzeneacetic acid, BENZOYL-FORMIC ACID, WLN: QVVR

Molecular Formula: C8H6O3Molecular Weight: 150.131440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FAQJJMHZNSSFSM-UHFFFAOYSA-N

• 2-Hydroxy-5-Methyl Acetophenone
IUPAC Name: 1-(2-hydroxy-5-methylphenyl)ethanone | CAS Registry Number: 1450-72-2
Synonyms: o-Acetyl-p-cresol, 1-Hydroxy-2-acetyl-4-methylbenzene, 2-Hydroxy-5-methylacetophenone, NCIOpen2_000252, 2-ACETYL-4-METHYLPHENOL, H37601_ALDRICH, 2'-Hydroxy-5'-methylacetophenone, Ethanone, 1-(2-hydroxy-5-methylphenyl)-, NSC26458, NSC63363, EINECS 215-915-2, ZINC00088245, Acetophenone, 2'-hydroxy-5'-methyl-, SDCCGMLS-0065880.P001, A2494/0106055, InChI=1/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YNPDFBFVMJNGKZ-UHFFFAOYSA-N

• 4-Acetoxybenzaldehyde
IUPAC Name: (4-formylphenyl) acetate | CAS Registry Number: 878-00-2
Synonyms: p-Acetoxybenzaldehyde, 4-Formylphenyl acetate, p-Hydroxybenzaldehyde acetate, Benzaldehyde, 4-(acetyloxy)-, Benzaldehyde, p-hydroxy-, acetate, 242608_ALDRICH, ALBB-001396, CID70144, NSC40537, EINECS 212-898-3, NSC 40537, SBB008231, ZINC01672089, FR-1090, AI3-31884

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SEVSMVUOKAMPDO-UHFFFAOYSA-N

• 2-Hydroxy Acetophenone
IUPAC Name: 2-hydroxy-1-phenylethanone | CAS Registry Number: 582-24-1
Synonyms: Benzoylcarbinol, Glycolophenone, 2-Hydroxyacetophenone, Phenacyl alcohol, Methanol, benzoyl-, Acetophenone, 2-hydroxy-, omega-Hydroxyacetophenone, alpha-Hydroxyacetophenone, Ethanone, 2-hydroxy-1-phenyl-, .alpha.-Hydroxyacetophenone, .omega.-Hydroxyacetophenone, 445134_ALDRICH, 2-Hydroxy-1-phenylethan-1-one, Acetophenone, 2-hydroxy- (8CI), CID68490, EINECS 209-480-8, c0276, NSC171232, ZINC00396134, NSC 171232

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZWVHTXAYIKBMEE-UHFFFAOYSA-N

• 3-(4-Bromophenyl)propionic acid
IUPAC Name: 3-(4-bromophenyl)propanoic acid | CAS Registry Number: 1643-30-7
Synonyms: 3-(4-bromophenyl)propanoic acid, 3-(4-bromophenyl)propanoicacid, 3-(4-bromo-phenyl)-propionic acid, SBB017617, AG-E-14151, PubChem19769, SureCN5455, AC1MC3PA, ACMC-1C0VM, 4-Bromophenylpropionic Acid, KSC494I3B, 595438_ALDRICH, benzenepropanoic acid, 4-bromo-, CHEMBL1829799, CTK3J4430, MolPort-000-152-357, 3-(4-bromophenyl) propionic acid, HMS1739G14, ACN-C000966, ACN-S004294

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NCSTWHYWOVZDOC-UHFFFAOYSA-N

• 3',5'-Dimethoxy-4'-hydroxyacetophenone
IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone | CAS Registry Number: 2478-38-8
Synonyms: Acetosyringone, Acetosyringenin, Acetosyringon, Spectrum_001915, SpecPlus_000955, Spectrum2_000429, Spectrum3_001115, Spectrum4_001953, Spectrum5_000695, CCRIS 7286, BSPBio_002850, KBioGR_002389, KBioSS_002457, SPECTRUM300610, D134406_ALDRICH, DivK1c_007051, SPBio_000418, CHEBI:2404, 38766_FLUKA, EINECS 219-610-5

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OJOBTAOGJIWAGB-UHFFFAOYSA-N

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

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

InChIKey: CHTHALBTIRVDBM-UHFFFAOYSA-N

• 3',5'-Dichloro-2'-hydroxyacetophenone
IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone | CAS Registry Number: 3321-92-4
Synonyms: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone, 3,5-Dichloro-2-hydroxyacetophenone, AG-F-11905, Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-, 1-acetyl-3,5-dichloro-2-hydroxybenzene, ZINC00156199, AC1LAUHY, AC1Q1JLH, ACMC-1CQ4K, SureCN659333, 383392_ALDRICH, CTK4H0216, MolPort-000-142-023, BB_SC-6881, RW2809, SBB057875, STK811297, 3'5'-dichloro-2'-hydroxyacetophenone, AKOS000112355, MCULE-2461682757

Molecular Formula: C8H6Cl2O2Molecular Weight: 205.038040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CJFYGRLJDKWMDI-UHFFFAOYSA-N

• 3'-Bromo-4'-methylacetophenone
IUPAC Name: 1-(3-bromo-4-methylphenyl)ethanone | CAS Registry Number: 40180-80-1
Synonyms: 1-(3-bromo-4-methylphenyl)ethanone, 3-Bromo-4-methylacetophenone, zlchem 817, AC1MNT9C, SureCN407154, Ambap40180-80-1, 579734_ALDRICH, CTK4I2615, ZLD0278, MolPort-001-781-951, OTAVA-BB 1499626, ACT06223, ZINC02583727, AKOS015913125, AG-F-42236, AS03823, 1-(3-bromanyl-4-methyl-phenyl)ethanone, AK126585, AM807462, KB-213654

Molecular Formula: C9H9BrOMolecular Weight: 213.071160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PDJLFESXPVLVMR-UHFFFAOYSA-N

• 6-Bromo-3-cyanochromone
IUPAC Name: 6-bromo-4-oxochromene-3-carbonitrile | CAS Registry Number: 52817-13-7
Synonyms: 6-bromo-4-oxochromene-3-carbonitrile, 6-bromo-4-oxo-4h-chromene-3-carbonitrile, ST50319632, ZINC00085600, AC1LDXKR, SureCN11266430, CTK4J6562, ACT08291, WTI-11043, AKOS005202965, 6-bromo-4-oxo-1-benzopyran-3-carbonitrile, KB-199187, FT-0640111, 4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo-, 6-bromanyl-4-oxidanylidene-chromene-3-carbonitrile, A829266

Molecular Formula: C10H4BrNO2Molecular Weight: 250.048260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MGVVCEKLWMZFLS-UHFFFAOYSA-N

• 2,4-Dimethoxyphenylacetic acid
IUPAC Name: 2-(2,4-dimethoxyphenyl)acetic acid | CAS Registry Number: 6496-89-5
Synonyms: 554197_ALDRICH, (2,4-Dimethoxyphenyl)acetic acid, NSC512596, CID350555, ST5408196

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZFXFMGARFHRTTO-UHFFFAOYSA-N

• 2,6-Dimethoxy-3-nitrobenzoic acid
IUPAC Name: 2,6-dimethoxy-3-nitrobenzoic acid | CAS Registry Number: 55776-17-5
Synonyms: EINECS 259-814-1, CID3085094, ST5407894

Molecular Formula: C9H9NO6Molecular Weight: 227.170860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YIKBQFPTPKEFSM-UHFFFAOYSA-N

• 4-Iodobenzylamine hydrochloride
IUPAC Name: (4-iodophenyl)methanamine;hydrochloride | CAS Registry Number: 59528-27-7
Synonyms: (4-iodophenyl)methanamine hydrochloride, 4-Iodobenzylamine HCl, SBB058995, (4-iodophenyl)methylamine, chloride, 4-IODOBENZYLAMINE, HYDROCHLORIDE SALT, PubChem3304, ACMC-209tzk, SureCN855336, 4-IodobenzylamineHydrochloride, 597139_ALDRICH, CTK3J3252, MolPort-001-770-951, ACT08160, ANW-43134, AKOS005255109, AS02223, AK-87256, KB-86289, Q491, AB1005565

Molecular Formula: C7H9ClINMolecular Weight: 269.510530 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GBJMURRFWZREHE-UHFFFAOYSA-N

• 4-(4-Chlorophenyl)-4-Oxobutanoic Acid
IUPAC Name: 4-(4-chlorophenyl)-4-oxobutanoic acid | CAS Registry Number: 3984-34-7
Synonyms: Maybridge1_006214, NSC5137, NCIStruc1_000312, NCIStruc2_000239, 3-(4-Chlorobenzoyl)propionic acid, Oprea1_859574, 439924_ALDRICH, NCI5137, CID77604, NSC-5137, 4-(4-Chlorophenyl)-4-oxobutanoic acid, EINECS 223-627-3, NCGC00013054, SBB003421, STK208513, NCGC00096178-01, NCI60_004245, Benzenebutanoic acid, 4-chloro-gamma-oxo-, AI3-07203, Benzenebutanoic acid, 4-chloro-.gamma.-oxo-

Molecular Formula: C10H9ClO3Molecular Weight: 212.629660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AHVASTJJVAYFPY-UHFFFAOYSA-N

• 3-(3-Chlorophenyl)propanoic Acid
IUPAC Name: 3-(3-chlorophenyl)propanoic acid | CAS Registry Number: 21640-48-2
Synonyms: 631302_ALDRICH, 3-(3-chlorophenyl)propanoic acid, 3-(3-Chlorophenyl)propionic acid, 3-(3-Chloro-phenyl)-propionic acid, CID177164, BAS 10861260, BBV-096853, AJ-087/41885649

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CLTDVBQNUHHYCA-UHFFFAOYSA-N

• 4,4,4-Trifluoro-1-(4-Methoxyphenyl)-1,3-Butanedione
IUPAC Name: 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione | CAS Registry Number: 15191-68-1
Synonyms: TOS-BB-0662, ALBB-006418, CID139903, STK298670, BBV-105463, 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione, 2,4-Butanedione, 1,1,1-trifluoro-4-(4-methoxyphenyl)-

Molecular Formula: C11H9F3O3Molecular Weight: 246.182570 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: NNEIYSHJFCLFES-UHFFFAOYSA-N

• 3-CHLOROCOUMARIN
IUPAC Name: 3-chlorochromen-2-one | CAS Registry Number: 92-45-5
Synonyms: 3-Chlorocoumarin, Coumarin, 3-chloro-, Ambcb5102979, 3-Chloro-2H-chromen-2-one, NSC54855, 2H-1-Benzopyran-2-one, 3-chloro-, 579572_ALDRICH, MolPort-002-130-138, AIDS124841, HMS1607G19, 3-Chloro-2H-1-benzopyran-2-one, AIDS-124841, CID96133, NSC 54855, ZINC00225812, C2297

Molecular Formula: C9H5ClO2Molecular Weight: 180.587800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CKCOPMSBJBNBCQ-UHFFFAOYSA-N

• 2,4-DICHLORO-6-IODOANILINE
IUPAC Name: 2,4-dichloro-6-iodoaniline | CAS Registry Number: 697-90-5
Synonyms: 2,4-dichloro-6-iodoaniline, AG-G-72296, ST51040176, ZINC05239868, AC1OOD5I, SureCN2766389, 4,6-dichloro-2-iodophenylamine, CTK5D1350, MolPort-016-582-368, Benzenamine,2,4-dichloro-6-iodo-, Benzenamine, 2,4-dichloro-6-iodo-, 1-Amino-2,4-dichloro-6-iodobenzene, AKOS016008826, AM61652, AK110472, BD227781, KB-17399, Aniline,2,4-dichloro-6-iodo- (7CI,8CI);2,4-Dichloro-6-iodoaniline;

Molecular Formula: C6H4Cl2INMolecular Weight: 287.913130 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YJRSMJTVXWBFJJ-UHFFFAOYSA-N

• 4-Bromo-3-methylbenzonitrile
IUPAC Name: 4-bromo-3-methylbenzonitrile | CAS Registry Number: 41963-20-6
Synonyms: 566365_ALDRICH, ZINC04218223, CID2737494, FS000053, ST5408669

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SKXUZFJOLNNWIG-UHFFFAOYSA-N

• 2-Hydroxy-6-methoxybenzaldehyde
IUPAC Name: 2-hydroxy-6-methoxybenzaldehyde | CAS Registry Number: 700-44-7
Synonyms: 6-Methoxysalicylaldehyde, ZINC01845794, CID69692, EINECS 211-844-6

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DZJPDDVDKXHRLF-UHFFFAOYSA-N

• 3-Iodo-4-methylbenzoic acid
IUPAC Name: 3-iodo-4-methylbenzoic acid | CAS Registry Number: 82998-57-0
Synonyms: 278858_ALDRICH, ARONIS023691, ALBB-006209, CID621640, SBB003083, AN-970/40920439, InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7IO2Molecular Weight: 262.044450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LDDHMKANNXWUAK-UHFFFAOYSA-N

• (2-amino-pyridin-3-yl)-methanol
IUPAC Name: (2-aminopyridin-3-yl)methanol | CAS Registry Number: 23612-57-9
Synonyms: 2-Aminopyridine-3-methanol, 2-amino-3-hydroxymethyl pyridine, AA-0706, TL8006937

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FEIACFYXEWBKHU-UHFFFAOYSA-N

• 3-Aminobenzophenone
IUPAC Name: (3-aminophenyl)-phenylmethanone | CAS Registry Number: 2835-78-1
Synonyms: 3-Benzoylaniline, m-Aminobenzophenone, Methanone, (3-aminophenyl)phenyl-, BENZOPHENONE, 3-AMINO-, NCIOpen2_001023, 255254_ALDRICH, EINECS 220-614-4, NSC 86511, NSC86511, BRN 2209413, ZINC00153255, SDCCGMLS-0065869.P001, LS-38869, ST5411474, 4-14-00-00247 (Beilstein Handbook Reference), InChI=1/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H

Molecular Formula: C13H11NOMolecular Weight: 197.232540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FUADXEJBHCKVBN-UHFFFAOYSA-N


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