uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05622954
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C#N)c1ccc(C(F)(F)F)cc1
- InChIKey
- YEBSQXKOGNKPMQ-UHFFFAOYSA-N
- 分子式
- C11H10F3N
- 平均分子量
- 213.2 g/mol
- 单同位素质量
- 213.07653381
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 23.8 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 1
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 263
ALIASES
名称与别名
2-Methyl-2-(4-(trifluoromethyl)phenyl)propanenitrile32445-87-72-methyl-2-[4-(trifluoromethyl)phenyl]propanenitrile2-Methyl-2-(4-trifluoromethyl-phenyl)-propionitrileMFCD11036614SCHEMBL793480HS-3576SY241732EN300-1605042-methyl-2-(4-trifluoromethylphenyl)propanenitrileF470608
REACTIONS
参与反应
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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