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BASR Fine Chem

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• Acetosyringone
IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone | CAS Registry Number: 2478-38-8
Synonyms: 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, KBio1_001995

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

InChIKey: OJOBTAOGJIWAGB-UHFFFAOYSA-N

• 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

• BAY32-5915
IUPAC Name: 8-hydroxyquinoline-2-carboxylic acid | CAS Registry Number: 1571-30-8
Synonyms: 8-Hydroxyquinaldic acid, Quinaldic acid, 8-hydroxy-, Oprea1_440614, MLS000849721, 55088_FLUKA, 8-Hydroxy-2-quinolinecarboxylic acid, BRN 0146082, SMR000455739, LS-139874, ST5330568, EU-0033714, MLS-0146266.0001, 5-22-05-00272 (Beilstein Handbook Reference)

Molecular Formula: C10H7NO3Molecular Weight: 189.167480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UHBIKXOBLZWFKM-UHFFFAOYSA-N

• Benzamide, 3-iodo-
IUPAC Name: 3-iodobenzamide | CAS Registry Number: 10388-19-9
Synonyms: 3-Iodobenzamide, m-Iodobenzamide, Benzamide, m-iodo-, 3-Iodobenzoic amide, BRN 2434281, LS-27050, 0-09-00-00366 (Beilstein Handbook Reference)

Molecular Formula: C7H6INOMolecular Weight: 247.033110 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HEMYUAPEXJWFCP-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

• Benzoylacetone
IUPAC Name: 1-phenylbutane-1,3-dione | CAS Registry Number: 93-91-4
Synonyms: 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, NSC4015

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

• Chromocarb
IUPAC Name: 4-oxochromene-2-carboxylic acid | CAS Registry Number: 4940-39-0
Synonyms: chromocarb, Atremon, Chromocarb (INN), Chromonecarboxylic acid, Chromone-2-carboxylic 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

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

• Oxindole
IUPAC Name: 1,3-dihydroindol-2-one | CAS Registry Number: 59-48-3
Synonyms: 2-Indolinone, Indolin-2-one, Oxindol, 2-Oxindole, 2-Oxoindoline, 1,3-Dihydroindol-2-one, Indol-2(3H)-one, indolin-2(1H)-one, 1,3-Dihydro-2H-indol-2-one, O9808_ALDRICH, 2H-Indol-2-one, 1,3-dihydro-, 57260_FLUKA, CHEBI:31697, CPD-6361, NSC274863, SBB004215, ZINC00058282, TL806283, C12312, AH-034/32845032

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JYGFTBXVXVMTGB-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: 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, alpha-Oxo-benzeneacetic acid

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

InChIKey: FAQJJMHZNSSFSM-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

• 1(2H)-Naphthalenone,3,4-dihydro-5-methyl-
IUPAC Name: 5-methyl-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 6939-35-1
Synonyms: 5-Methyl-1-tetralone, MLS002667863, 3,4-Dihydro-5-methylnaphthalen-1(2H)-one, 5-methyl-3,4-dihydronaphthalen-1(2H)-one, 1(2H)-Naphthalenone, 3,4-dihydro-5-methyl-, 5-methyl-3,4-dihydro-2H-naphthalen-1-one, 7148-38-1, NSC57011, AC1Q6JQW, SureCN1151194, AC1L315L, CTK8D4730, HMS3079P04, EINECS 230-073-6, AR-1G8802, NSC 57011, NSC-57011, AKOS006284743, MB05378, KB-43741

Molecular Formula: C11H12OMolecular Weight: 160.212380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZYBCYRGGMARDQI-UHFFFAOYSA-N

• 1,2-Diacetylhydrazine
IUPAC Name: N'-acetylacetohydrazide | CAS Registry Number: 3148-73-0
Synonyms: N,N'-Diacetylhydrazine, Diacetylahydrazine, Diacetyl hydrazine, Diacetylhydrazine, sym-Diacetylhydrazine, N'-Acetylacetohydrazide, 1.2-diacetylhydrazine, Hydrazine, 1,2-diacetyl-, Acetic acid, 2-acetylhydrazide, D8402_ALDRICH, NSC 42939, EINECS 221-576-1, AIDS018525, AIDS-018525, Hydrazine, 1,2-diacetyl- (8CI), NSC42939, ZINC01675730, LS-7304, D1041, C16622

Molecular Formula: C4H8N2O2Molecular Weight: 116.118520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZLHNYIHIHQEHJQ-UHFFFAOYSA-N

• 1,4-Benzodioxan-6-amine
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-7-amine | CAS Registry Number: 22013-33-8
Synonyms: 3,4-Ethylenedioxyaniline, 1,4 Benzodioxan-6-amine, 6-Amino-1,4-benzodioxan, 1,4-Benzodioxan-6-ylamine, Oprea1_691270, 193232_ALDRICH, ZINC03861393, CID89148, EINECS 244-718-4, SDCCGMLS-0066218.P001, ST5164345, InChI=1/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BZKOZYWGZKRTIB-UHFFFAOYSA-N

• 1,8-Dichloroanthraquinone
IUPAC Name: 1,8-dichloroanthracene-9,10-dione | CAS Registry Number: 82-43-9
Synonyms: 1,8-Dichloranthrachinon, ANTHRAQUINONE, 1,8-DICHLORO-, 9,10-Anthracenedione, 1,8-dichloro-, 1,8-Dichloro-9,10-anthraquinone, D56403_ALDRICH, 1,8-Dichloranthrachinon [Czech], NSC7209, NSC 7209, EINECS 201-420-9, CID6708, BRN 1979205, ZINC03875552, WLN: L C666 BV IVJ DG NG, AI3-38302, LS-20662, 4-07-00-02560 (Beilstein Handbook Reference), T0502-7550

Molecular Formula: C14H6Cl2O2Molecular Weight: 277.102240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VBQNYYXVDQUKIU-UHFFFAOYSA-N

• 1-(2-Hydroxy-3-Nitrophenyl) Ethanone
IUPAC Name: 1-(2-hydroxy-3-nitrophenyl)ethanone | CAS Registry Number: 28177-69-7
Synonyms: NSC111935, CID270026

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XQZGSPSZLMKODN-UHFFFAOYSA-N

• 1-(2-Hydroxyethyl)naphthalene
IUPAC Name: 2-naphthalen-1-ylethanol | CAS Registry Number: 773-99-9
Synonyms: 1-Naphthaleneethanol, 2-(1-Naphthyl)ethanol, 2-Naphthylethanol, Naphthalen-1-ethanol, Ambap4423, 2-naphthalen-1-yl-ethanol, 183458_ALDRICH, NSC28342, EINECS 212-260-4, ZINC00967226, 1-(2-HYDROXYETHYL)NAPHTHALENE, TL8005057, AQ-917/40233986

Molecular Formula: C12H12OMolecular Weight: 172.223080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RXWNCMHRJCOWDK-UHFFFAOYSA-N

• 1-(4-Chlorophenyl)-4,4,4-trifluorobutane-1,3-dione
IUPAC Name: 1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione | CAS Registry Number: 18931-60-7
Synonyms: TOS-BB-0671, 574708_ALDRICH, MolPort-000-153-516, ALBB-006415, STK301807, BBV-105507, CID2773832, 1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione, 1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione

Molecular Formula: C10H6ClF3O2Molecular Weight: 250.601650 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LJHFYVKVIIMXQM-UHFFFAOYSA-N

• 1-Fluoro-2-iodobenzene
IUPAC Name: 1-fluoro-2-iodobenzene | CAS Registry Number: 348-52-7
Synonyms: o-Fluoroiodobenzene, 2-Fluoroiodobenzene, o-Iodofluorobenzene, Benzene, 1-fluoro-2-iodo-, 219401_ALDRICH, NSC51766, EINECS 206-477-3, NSC 51766, ZINC00164528, SB 01067, TL8002596, InChI=1/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4

Molecular Formula: C6H4FIMolecular Weight: 221.998833 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: TYHUGKGZNOULKD-UHFFFAOYSA-N

• 1-Iodo-2-nitrobenzene
IUPAC Name: 1-iodo-2-nitrobenzene | CAS Registry Number: 609-73-4
Synonyms: o-Iodonitrobenzene, o-Nitroiodobenzene, 2-Iodonitrobenzene, 2-Nitroiodobenzene, Benzene, 1-iodo-2-nitro-, ghl.PD_Mitscher_leg0.939, 136190_ALDRICH, NSC9793, CID69115, NSC 9793, EINECS 210-200-1, ZINC01700192, AI3-04857, TL8003859, T0518-0588, InChI=1/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4

Molecular Formula: C6H4INO2Molecular Weight: 249.005930 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JXMZUNPWVXQADG-UHFFFAOYSA-N

• 1-methoxyacetophenone
IUPAC Name: 2-methoxy-1-phenylethanone | CAS Registry Number: 4079-52-1
Synonyms: 2-Methoxyacetophenone, alpha-Methoxyacetophenone, Acetophenone, 2-methoxy-, .alpha.-Methoxyacetophenone, .omega.-Methoxyacetophenone, 2-methoxy-1-phenylethanone, M9602_ALDRICH, Ethanone, 2-methoxy-1-phenyl-, NSC354, EINECS 223-802-4, NSC227212, ZINC00404439, AI3-07623

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

InChIKey: YRNDGUSDBCARGC-UHFFFAOYSA-N

• 1-Methyl 2-Nitroterephthalate
IUPAC Name: 4-methoxycarbonyl-3-nitrobenzoic acid | CAS Registry Number: 35092-89-8
Synonyms: 1-Methyl 2-nitroterephthalate, 515000_ALDRICH, NSC151109, CID98592, EINECS 252-360-5, Methyl hydrogen 2-nitroterephthalate, LT03333012, InChI=1/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12

Molecular Formula: C9H7NO6Molecular Weight: 225.154980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: MIIADZYPHVTLPR-UHFFFAOYSA-N

• 2'-ETHOXYACETOPHENONE
IUPAC Name: 1-(2-ethoxyphenyl)ethanone | CAS Registry Number: 14869-39-7
Synonyms: 2-Acetylphenetole, 2'-Ethoxyacetophenone, o-Ethoxyacetophenone, 1-(2-ethoxyphenyl)ethanone, MolPort-000-490-704, ZINC00150879, ALBB-002912, CID578482, STK500418, BBV-094236, E0457, 2142-67-8

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TVGMOUGXQYQZOL-UHFFFAOYSA-N

• 2'-hydroxy acetophenone
IUPAC Name: 1-(2-hydroxyphenyl)ethanone | CAS Registry Number: 104809-67-8
Synonyms: 2'-Hydroxyacetophenone, 2-Acetylphenol, 118-93-4, O-HYDROXYACETOPHENONE, 1-(2-Hydroxyphenyl)ethanone, o-Acetylphenol, Acetophenone, 2'-hydroxy-, Ethanone, 1-(2-hydroxyphenyl)-, Acetophenone, o-hydroxy-, 2-Acetophenol, USAF KE-20, o-Hydroxyphenyl methyl ketone, 2-Hydroxyphenyl methyl ketone, Methyl 2-hydroxyphenyl ketone, FEMA No. 3548, 1-(2-Hydroxyphenyl)Ethan-1-One, EINECS 204-288-0, NSC 16933, BRN 0386123, AI3-12134

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

InChIKey: JECYUBVRTQDVAT-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

• 2'-Hydroxyacetophenone
IUPAC Name: 1-(2-hydroxyphenyl)ethanone | CAS Registry Number: 118-93-4
Synonyms: 2-Acetylphenol, o-Acetylphenol, Acetophenone, 2'-hydroxy-, O-HYDROXYACETOPHENONE, Acetophenone, o-hydroxy-, 1-(2-Hydroxyphenyl)ethanone, Ethanone, 1-(2-hydroxyphenyl)-, USAF KE-20, o-Hydroxyphenyl methyl ketone, 2-Hydroxyphenyl methyl ketone, Methyl 2-hydroxyphenyl ketone, FEMA No. 3548, WLN: QR BV1, H18607_ALDRICH, ACETOPHENONE,2-HYDROXY, W354805_ALDRICH, 54150_FLUKA, EINECS 204-288-0, NSC9263, NSC 16933

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

InChIKey: JECYUBVRTQDVAT-UHFFFAOYSA-N

• 2,3-DICHLORO-5-NITRO-1,4-NAPHTHOQUINONE
IUPAC Name: 2,3-dichloro-5-nitronaphthalene-1,4-dione | CAS Registry Number: 22360-86-7
Synonyms: 2,3-Dichloro-5-nitro-1,4-naphthoquinone, ACMC-209fvo, SureCN1393393, AC1N983G, CTK4E9291, MolPort-003-906-047, ANW-24850, AKOS001593464, AG-E-63381, MCULE-2457681425, 2,3-dichloro-5-nitronaphthalene-1,4-dione, D2428, 1,4-Naphthalenedione,2,3-dichloro-5-nitro-, I14-63050, 1,4-Naphthoquinone,2,3-dichloro-5-nitro- (6CI,8CI);2,3-Dichloro-5-nitro-1,4-naphthoquinone;5-Nitro-2,3-dichloro-1,4-naphthoquinone;

Molecular Formula: C10H3Cl2NO4Molecular Weight: 272.041120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AWCITCQRUBWCJA-UHFFFAOYSA-N

• 2,3-DICYANO-1,4-NAPHTHOQUINONE
IUPAC Name: 1,4-dioxonaphthalene-2,3-dicarbonitrile | CAS Registry Number: 1018-78-6
Synonyms: Ametohepazone, CID98547, NSC146588, NSC 146588, 1,4-dioxo-1,4-dihydro-2,3-naphthalenedicarbonitrile, 2,3-Naphthalenedicarbonitrile, 1,4-dihydro-1,4-dioxo-

Molecular Formula: C12H4N2O2Molecular Weight: 208.172360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KIAJWKWOKTWTIZ-UHFFFAOYSA-N

• 2,3-DICYANO-5-NITRO-1,4-NAPHTHOQUINONE
IUPAC Name: 5-nitro-1,4-dioxonaphthalene-2,3-dicarbonitrile | CAS Registry Number: 4655-65-6
Synonyms: SureCN1392314, CTK4I9476, AG-F-59835, 5-Nitro-2,3-dicyano-1,4-naphthoquinone;DCNNQ, 2,3-Naphthalenedicarbonitrile,1,4-dihydro-5-nitro-1,4-dioxo-

Molecular Formula: C12H3N3O4Molecular Weight: 253.169920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: YJYIEHACYZGUFD-UHFFFAOYSA-N


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