uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841327B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=Cc1ccc(OCc2ccc(F)cn2)cc1F
- InChIKey
- SLSZJMYRFJWGSY-UHFFFAOYSA-N
- 分子式
- C13H9F2NO2
- 平均分子量
- 249.21 g/mol
- 单同位素质量
- 249.06013485
COMPUTED
结构计算性质
- XLogP
- 2
- 极性表面积
- 39.2 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 278
ALIASES
名称与别名
SCHEMBL509953SLSZJMYRFJWGSY-UHFFFAOYSA-N2-Fluoro-4-(5-fluoro-pyridin-2-ylmethoxy)-benzaldehyde2-Fluoro-4-(5-fluoro-pyridin-2-ylmethoxy)benzaldehyde
REACTIONS
相关反应
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