HCID59818257

7-bromo-6-fluoro-2-(4-methoxybenzyl)isoquinolin-1(2H)-one

7-bromo-6-fluoro-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one

C17H13BrFNO2362.2 g/molCAS 923022-44-0

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cn2ccc3cc(F)c(Br)cc3c2=O)cc1
InChIKey: PXUAOTQGKLIZFQ-UHFFFAOYSA-N
分子式: C17H13BrFNO2
平均分子量: 362.2 g/mol
单同位素质量: 361.01137

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 29.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 22
形式电荷: 0
复杂度: 436

ALIASES

名称与别名

共 7 条

923022-44-07-bromo-6-fluoro-2-(4-methoxybenzyl)isoquinolin-1(2H)-oneSCHEMBL2332782DTXSID80733086PXUAOTQGKLIZFQ-UHFFFAOYSA-N7-Bromo-6-fluoro-2-(4-methoxy-benzyl)-2H-isoquinolin-1-one7-Bromo-6-fluoro-2-[(4-methoxyphenyl)methyl]isoquinolin-1(2H)-one

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08609691B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188117B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188117B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188117B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188117B2

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