uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726173
查看IDENTITY
结构与身份
- 标准SMILES
- N#Cc1cccc(CBr)c1
- InChIKey
- CVKOOKPNCVYHNY-UHFFFAOYSA-N
- 分子式
- C8H6BrN
- 平均分子量
- 196.04 g/mol
- 单同位素质量
- 194.96836
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 23.8 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 147
物化、安全与法规信息正在同步。
ALIASES
名称与别名
3-(Bromomethyl)benzonitrile3-Cyanobenzyl bromide28188-41-2alpha-Bromo-m-tolunitrilem-Cyanobenzyl bromideBenzonitrile, 3-(bromomethyl)-m-(Bromomethyl)benzonitrilem-Cyano-alpha-bromotolueneEINECS 248-890-1NSC 108298m-Tolunitrile, alpha-bromo-3-(bromomethyl)-benzonitrileDTXSID8067363RefChem:566211DTXCID6037778m-Tolunitrile, alpha-bromo-(8CI)3-BromomethylbenzonitrileMFCD00001809m-Tolunitrile, .alpha.-bromo-A-BROMO-M-TOLUNITRILE
REACTIONS
参与反应
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