Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1cc(C(F)(F)F)cc(Cl)n1
- InChIKey
- FWEFQJNETFIPKG-UHFFFAOYSA-N
- 分子式
- C7H5ClF3NO
- 平均分子量
- 211.57 g/mol
- 单同位素质量
- 211.001176
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 22.1 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 176
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-Chloro-6-methoxy-4-(trifluoromethyl)pyridine1160994-99-92-Chloro-6-methoxy-4-trifluoromethyl-pyridineMFCD11845745Pyridine, 2-chloro-6-methoxy-4-(trifluoromethyl)-SCHEMBL1437397SBB094530AKOS015851265AS-5550SB55464DA-476872-methoxy-6-chloro-4-trifluoromethylpyridineCS-0441601F0754462-Chloro-6-methoxy-alpha,alpha,alpha-trifluoro-4-picoline
REACTIONS