HCID14204593

1-(Chloromethyl)cycloheptane-1-carbonitrile

C9H14ClN171.67 g/molCAS 112905-99-4

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: N#CC1(CCl)CCCCCC1
InChIKey: GIWBLCHKADUJDZ-UHFFFAOYSA-N
分子式: C9H14ClN
平均分子量: 171.67 g/mol
单同位素质量: 171.0814771

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 23.8 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 160

ALIASES

名称与别名

共 9 条

112905-99-41-(Chloromethyl)cycloheptane-1-carbonitrileCycloheptanecarbonitrile, 1-(chloromethyl)-SCHEMBL5347834DTXSID80557385GIWBLCHKADUJDZ-UHFFFAOYSA-N1-Chloromethylcycloheptanecarbonitrile1-chloromethyl-cycloheptanecarbonitrileEN300-2983033

REACTIONS

参与反应

3 条

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

查看

uspto-grants-1988_07 · 10.6084/m9.figshare.5104873.v1 · US04760158

查看

uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07256198B2

查看