HCID18369493

4-Bromo-5-methylisoquinolin-1(2H)-one

4-bromo-5-methyl-2H-isoquinolin-1-one

C10H8BrNO238.08 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cccc2c(=O)[nH]cc(Br)c12
InChIKey: VSJHFWDYFQTNCW-UHFFFAOYSA-N
分子式: C10H8BrNO
平均分子量: 238.08 g/mol
单同位素质量: 236.97893

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 29.1 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 262

ALIASES

名称与别名

共 10 条

4-Bromo-5-methylisoquinolin-1(2H)-one129075-65-64-bromo-5-methyl-1,2-dihydroisoquinolin-1-one4-bromo-5-methyl-2H-isoquinolin-1-one4-bromo-5-methyl-1(2h)-isoquinolinoneSCHEMBL7579692SCHEMBL29613182VSJHFWDYFQTNCW-UHFFFAOYSA-NDB-205913EN300-397656

REACTIONS

参与反应

3 条

uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09006442B2

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uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09006442B2

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uspto-grants-1993_01 · 10.6084/m9.figshare.5104873.v1 · US05177075

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