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Search results for: '98105-45-4'
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2-Methyl-4-trifluoromethylphenylboronic acid
Cas Number: 957034-45-6Formula: C8H8BF3O2Molecular weight: 204Synonyms: 2-Methyl-4-(trifluoromethyl)phenylboronic acid|957034-45-6|[2-methyl-4-(trifluoromethyl)phenyl]boron...SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)C)(O)OInChIKey: USEHFBIGOATLIA-UHFFFAOYSA-NInChI: InChI=1S/C8H8BF3O2/c1-5-4-6(8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
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N-Isopropyl 4-fluorobenzamide
Cas Number: 70001-45-5Formula: C10H12FNOMolecular weight: 181.2Synonyms: 4-Fluoro-N-isopropylbenzamide|70001-45-5|N-ISOPROPYL 4-FLUOROBENZAMIDE|4-fluoro-N-propan-2-ylbenzami...SMILES: CC(C)NC(=O)C1=CC=C(C=C1)FInChIKey: UAYKRRFVQXRMSI-UHFFFAOYSA-NInChI: InChI=1S/C10H12FNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)
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WAY-600868
Cas Number: 348-45-8Formula: C13H9FN2SMolecular weight: 244.28Synonyms: 348-45-8|N-(4-fluorophenyl)-1,3-benzothiazol-2-amine|Benzothiazol-2-yl-(4-fluoro-phenyl)-amine|N-(4-...SMILES: C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)FInChIKey: KQKQLYWDIYNFJP-UHFFFAOYSA-NInChI: InChI=1S/C13H9FN2S/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,(H,15,16)
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4-(tert-Butyldimethylsilyloxy)cyclohexanone
Cas Number: 55145-45-4Formula: C12H24O2SiMolecular weight: 228.4Synonyms: 55145-45-4|4-(tert-Butyldimethylsilyloxy)cyclohexanone|4-((tert-Butyldimethylsilyl)oxy)cyclohexanone...SMILES: CC(C)(C)[Si](C)(C)OC1CCC(=O)CC1InChIKey: HXKBGMNGSYGPRB-UHFFFAOYSA-NInChI: InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h11H,6-9H2,1-5H3
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4-Chlorobenzothiazole
Cas Number: 3048-45-1Formula: C7H4ClNSMolecular weight: 169.6Synonyms: 4-chlorobenzothiazole|3048-45-1|4-CHLOROBENZO[D]THIAZOLE|4-chloro-1,3-benzothiazole|BENZOTHIAZOLE, 4...SMILES: C1=CC2=C(C(=C1)Cl)N=CS2InChIKey: IFEPGHPDQJOYGG-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
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3-chloro-4-hydroxy-5-methylbenzonitrile
Cas Number: 173900-45-3Formula: C8H6ClNOMolecular weight: 167.59Synonyms: 173900-45-3|3-Chloro-5-methyl-4-hydroxybenzonitrile|3-chloro-4-hydroxy-5-methylbenzonitrile|Benzonit...SMILES: CC1=CC(=CC(=C1O)Cl)C#NInChIKey: LCZDCHYPSLUZID-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClNO/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3,11H,1H3
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6-Methoxypyrimidine-4-carboxylic acid
Cas Number: 38214-45-8Formula: C6H6N2O3Molecular weight: 154.12Synonyms: 6-methoxypyrimidine-4-carboxylic Acid|38214-45-8|MFCD00496784|6-methoxy-4-Pyrimidinecarboxylic acid|...SMILES: COC1=NC=NC(=C1)C(=O)OInChIKey: GOLLRPFWZLSHBL-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2O3/c1-11-5-2-4(6(9)10)7-3-8-5/h2-3H,1H3,(H,9,10)
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Methyl 2-nitro-4-(trifluoromethyl)benzoate
Cas Number: 228418-45-9Formula: C9H6F3NO4Molecular weight: 249.1Synonyms: Methyl 2-nitro-4-(trifluoromethyl)benzoate|228418-45-9|MFCD08282772|Methyl 2-nitro-4-trifluoromethyl...SMILES: COC(=O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]InChIKey: WYTRZKAYPKZGCN-UHFFFAOYSA-NInChI: InChI=1S/C9H6F3NO4/c1-17-8(14)6-3-2-5(9(10,11)12)4-7(6)13(15)16/h2-4H,1H3
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2-Bromo-4-fluorobenzenesulfonyl chloride
Cas Number: 351003-45-7Formula: BrC6H3(F)SO2ClMolecular weight: 273.51Synonyms: 351003-45-7|2-Bromo-4-fluorobenzenesulfonyl chloride|2-bromo-4-fluorobenzene-1-sulfonyl chloride|2-b...SMILES: C1=CC(=C(C=C1F)Br)S(=O)(=O)ClInChIKey: GJPWPFVLPNTOOL-UHFFFAOYSA-NInChI: InChI=1S/C6H3BrClFO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H
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4-chloro-5-fluoro-2-(methylsulfanyl)pyrimidine
Cas Number: 6096-45-3Formula: C5H4ClFN2SMolecular weight: 178.61Synonyms: 6096-45-3|4-CHLORO-5-FLUORO-2-(METHYLSULFANYL)PYRIMIDINE|4-chloro-5-fluoro-2-(methylthio)pyrimidine|...SMILES: CSC1=NC=C(C(=N1)Cl)FInChIKey: UQWYZGXKPJZPLU-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClFN2S/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3
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5-[2-(4-Hydroxyphenyl)Ethyl]-5-Methylimidazolidine-2,4-Dione
Cas Number: 91567-45-2Formula: C12H14N2O3Molecular weight: 234.25Synonyms: 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione|91567-45-2|5-(4-Hydroxyphenethyl)-5-met...SMILES: CC1(C(=O)NC(=O)N1)CCC2=CC=C(C=C2)OInChIKey: XUIFFZGCVHKMNX-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2O3/c1-12(10(16)13-11(17)14-12)7-6-8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H2,13,14,16,17)
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2-chloro-5-methyl-4-nitropyridine
Cas Number: 97944-45-1Formula: C6H5ClN2O2Molecular weight: 172.57Synonyms: 2-Chloro-5-methyl-4-nitropyridine|97944-45-1|MFCD19690032|Pyridine, 2-chloro-5-methyl-4-nitro-|SCHEM...SMILES: CC1=CN=C(C=C1[N+](=O)[O-])ClInChIKey: PEGDFBBVKXPIME-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN2O2/c1-4-3-8-6(7)2-5(4)9(10)11/h2-3H,1H3
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2-(Piperidin-4-yl)pyridine dihydrochloride
Cas Number: 143924-45-2Formula: C10H16Cl2N2Molecular weight: 235.15Synonyms: 2-(Piperidin-4-yl)pyridine dihydrochloride|143924-45-2|2-(1 lamda{2}-piperidin-4-yl)pyridin-4-yl dih...SMILES: C1CNCCC1C2=CC=CC=N2.Cl.ClInChIKey: NXCFRWODOJQICL-UHFFFAOYSA-NInChI: InChI=1S/C10H14N2.2ClH/c1-2-6-12-10(3-1)9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2;2*1H
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methyl 4-chloro-6-methoxy-pyridine-3-carboxylate
Cas Number: 848953-45-7Formula: C8H8NO3ClMolecular weight: 201.61Synonyms: methyl 4-chloro-6-methoxynicotinate | 848953-45-7 | Methyl 4-chloro-6-methoxypyridine-3-carboxylate ...SMILES: COC1=NC=C(C(=C1)Cl)C(=O)OCInChIKey: WAYNSSWMZJRJKH-UHFFFAOYSA-NInChI: InChI=1S/C8H8ClNO3/c1-12-7-3-6(9)5(4-10-7)8(11)13-2/h3-4H,1-2H3
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3-Methyl-2-phenylquinoline-4-carboxylic acid
Cas Number: 43071-45-0Formula: C17H13NO2Molecular weight: 263.3Synonyms: 3-methyl-2-phenylquinoline-4-carboxylic acid|43071-45-0|3-Methyl-2-phenyl-quinoline-4-carboxylic aci...SMILES: CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OInChIKey: ZSVACLAZDFXWQG-UHFFFAOYSA-NInChI: InChI=1S/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
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N1-Methyl-4-Nitrobenzene-1-Sulfonamide
Cas Number: 6319-45-5Formula: C7H8N2O4SMolecular weight: 216.2Synonyms: N-Methyl-4-nitrobenzenesulfonamide|6319-45-5|CHEMBL34350|Benzenesulfonamide, N-methyl-4-nitro-|N-met...SMILES: CNS(=O)(=O )C1=CC=C(C=C1)[N+](=O)[O-]InChIKey: IHIJFQRUYCEKCZ-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O4S/c1-8-14(12,13)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3
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2-Chloro-4-(trifluoromethyl)benzoic acid
Cas Number: 23228-45-7Formula: C8H4ClF3O2Molecular weight: 224.57Synonyms: 2-chloro-4-(trifluoromethyl)benzoic Acid|23228-45-7|2-Chloro-4-trifluoromethylbenzoic acid|Benzoic a...SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)C(=O)OInChIKey: DTIJZEUKFYGSEC-UHFFFAOYSA-NInChI: InChI=1S/C8H4ClF3O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
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1-(2-Fluoroethyl)-4-hydroxypiperidine
Cas Number: 492446-45-4Formula: C7H14FNOMolecular weight: 147.2Synonyms: 1-(2-fluoroethyl)piperidin-4-ol|492446-45-4|1-(2-Fluoroethyl)-4-hydroxypiperidine|1-(2-Fluoro-ethyl)...SMILES: C1CN(CCC1O)CCFInChIKey: YUPRNALANWTJTB-UHFFFAOYSA-NInChI: InChI=1S/C7H14FNO/c8-3-6-9-4-1-7(10)2-5-9/h7,10H,1-6H2
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4-Propoxy-3-(trifluoromethyl)phenylboronic acid
Cas Number: 1162257-45-5Formula: C10H12BF3O3Molecular weight: 248Synonyms: 1162257-45-5|(4-Propoxy-3-(trifluoromethyl)phenyl)boronic acid|4-PROPOXY-3-(TRIFLUOROMETHYL)PHENYLBO...SMILES: B(C1=CC(=C(C=C1)OCCC)C(F)(F)F)(O)OInChIKey: WXJILKLCSIMQCB-UHFFFAOYSA-NInChI: InChI=1S/C10H12BF3O3/c1-2-5-17-9-4-3-7(11(15)16)6-8(9)10(12,13)14/h3-4,6,15-16H,2,5H2,1H3
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5-Bromo-2-fluoro-4-methylbenzonitrile
Cas Number: 1269493-45-9Formula: C8H5BrFNMolecular weight: 214.04Synonyms: MFCD18452117 | AKOS015969532 | AMY41612 | 5-Bromo-2-fluoro-4-methylbenzonitrile | DTXSID60735149 | S...SMILES: CC1=CC(=C(C=C1Br)C#N)FInChIKey: QTPIMXBTXKQSFZ-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrFN/c1-5-2-8(10)6(4-11)3-7(5)9/h2-3H,1H3
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2-methyl-2H-indazole-4-carbonitrile
Cas Number: 1159511-45-1Formula: C9H7N3Molecular weight: 157.18Synonyms: 2-Methyl-2H-indazole-4-carbonitrile | 1159511-45-1 | 4-CYANO-2-METHYLINDAZOLE | 2-methylindazole-4-c...SMILES: CN1C=C2C(=N1)C=CC=C2C#NInChIKey: IXVBGVWMIAYPNJ-UHFFFAOYSA-NInChI: InChI=1S/C9H7N3/c1-12-6-8-7(5-10)3-2-4-9(8)11-12/h2-4,6H,1H3
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4-Methylbenzyl acetate
Cas Number: 2216-45-7Formula: C10H12O2Molecular weight: 164.21Synonyms: 4-Methylbenzyl acetate|2216-45-7|p-Methylbenzyl acetate|(4-methylphenyl)methyl acetate|p-Tolubenzyl ...SMILES: CC1=CC=C(C=C1)COC(=O)CInChIKey: WDCUPFMSLUIQBH-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3
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2-Hydroxy-4-methoxybenzophenone-5-sulfonic Acid Hydrate
Formula: C14H12O6SMolecular weight: 308.31Synonyms: Sulisobenzone|4065-45-6|Benzophenone-4|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|2-Hydroxy-4...SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)OInChIKey: CXVGEDCSTKKODG-UHFFFAOYSA-NInChI: InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
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Pyridoxamine-(methyl-d₃) dihydrochloride
Cas Number: 1173023-45-4 EC Number: 208-357-6 (unlabeled)Formula: C8D3H9N2O2・2HClMolecular weight: 244.13Synonyms: DTXSID10703030 | 4-(aminomethyl)-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol;dihydrochloride...SMILES: CC1=NC=C(C(=C1O)CN)CO.Cl.ClInChIKey: HNWCOANXZNKMLR-GXXYEPOPSA-NInChI: InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H/i1D3;;
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