Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- OCc1ccc(C(F)(F)F)nc1
- InChIKey
- CBSXUFWMVOAHTK-UHFFFAOYSA-N
- 分子式
- C7H6F3NO
- 平均分子量
- 177.12 g/mol
- 单同位素质量
- 177.0401483
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 33.1 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 1
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 148
物化、安全与法规信息正在同步。
ALIASES
名称与别名
386704-04-76-(Trifluoromethyl)pyridine-3-methanolDTXSID30394247RefChem:306994DTXCID20345107626-601-3(6-(trifluoromethyl)pyridin-3-yl)methanol[6-(trifluoromethyl)pyridin-3-yl]methanol[6-(Trifluoromethyl)-3-pyridyl]methanolMFCD018626482-(trifluoromethyl)pyridine-5-methanol5-(hydroxymethyl)-2-(trifluoromethyl)pyridine3-Pyridinemethanol,6-(trifluoromethyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol6-(trifluoromethyl)pyridin-3-methanol3-Pyridinemethanol, 6-(trifluoromethyl)-SCHEMBL132198SCHEMBL452178SCHEMBL29525326SBB054790
REACTIONS
相关反应
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