uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829204B2
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C#N)c1ccc([N+](=O)[O-])cc1
- InChIKey
- XZVURMRLCAFELZ-UHFFFAOYSA-N
- 分子式
- C10H10N2O2
- 平均分子量
- 190.2 g/mol
- 单同位素质量
- 190.07422757
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 69.6 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 264
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-methyl-2-(4-nitrophenyl)propanenitrile71825-51-9DTXSID60356414RefChem:263106DTXCID303074732-Methyl-2-(4-nitrophenyl)propionitrileMFCD00844930SCHEMBL395484XZVURMRLCAFELZ-UHFFFAOYSA-NCS-B0354AKOS006272838PB198932-{4-nitrophenyl}-2-methylpropanenitrileDS-141572-methyl-2-(4-nitro-phenyl)-propionitrile2-methyl-2-(4-nitrophenyl) propanenitrileAG-670/36154045F068274
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741925B2
查看uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101767B2
查看uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08486962B2
查看uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629162B2
查看uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637670B2
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