HCID11031280

Methyl 6-cyanobenzo[b]thiophene-2-carboxylate

methyl 6-cyano-1-benzothiophene-2-carboxylate

C11H7NO2S217.25 g/molCAS 146137-95-3

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc2ccc(C#N)cc2s1
InChIKey: BXZLWSCTNQNCPB-UHFFFAOYSA-N
分子式: C11H7NO2S
平均分子量: 217.25 g/mol
单同位素质量: 217.01974964

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 78.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 309

ALIASES

名称与别名

共 16 条

146137-95-3Methyl 6-cyanobenzo[b]thiophene-2-carboxylateMethyl 6-cyano-1-benzothiophene-2-carboxylateMFCD11040670Methyl 6-cyanobenzothiophene-2-carboxylate6-CYANO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTERSCHEMBL1495712DTXSID50452616BXZLWSCTNQNCPB-UHFFFAOYSA-NAKOS015967682SY371817DB-359539Methyl6-cyano-1-benzothiophene-2-carboxylateF4312246-Cyano-benzo[b]thiophene-2-carboxylicacid methyl ester6-Cyanobenzo[b]thiophene-2-carboxylic acid methyl ester

REACTIONS