HCID54176226

3-[4-Chloro-3-(trifluoromethyl)phenyl]prop-2-enenitrile

C10H5ClF3N231.6 g/molCAS 132604-91-2

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#CC=Cc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: OYODBPRQBAYYIU-UHFFFAOYSA-N
分子式: C10H5ClF3N
平均分子量: 231.6 g/mol
单同位素质量: 231.0062613

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 23.8 Å²
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: 289

ALIASES

名称与别名

共 7 条

132604-91-24-chloro-3-trifluoromethyl-cinnamonitrile4-chloro-3-trifluoromethylcinnamonitrile3-[4-Chloro-3-(trifluoromethyl)phenyl]prop-2-enenitrile2-Propenenitrile, 3-[4-chloro-3-(trifluoromethyl)phenyl]-, (Z)-SCHEMBL9005576DTXSID50709536

REACTIONS

参与反应

9 条

uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05428049

查看

uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05428049

查看

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 (9/10) · 10.1039/C8SC04228D

查看

uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05585493

查看

uspto-grants-1994_12 · 10.6084/m9.figshare.5104873.v1 · US05371231

查看

uspto-grants-1994_12 · 10.6084/m9.figshare.5104873.v1 · US05371231

查看

uspto-grants-1988_11 · 10.6084/m9.figshare.5104873.v1 · US04785007

查看