uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447070B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(Cl)c1ccc(C(F)(F)F)nc1
- InChIKey
- DDIXMUVENCORLG-UHFFFAOYSA-N
- 分子式
- C7H3ClF3NO
- 平均分子量
- 209.55 g/mol
- 单同位素质量
- 208.9855259
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 30 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
- 206
物化、安全与法规信息正在同步。
ALIASES
名称与别名
6-(Trifluoromethyl)nicotinoyl chloride358780-13-9DTXSID10380562RefChem:306985DTXCID00331588627-000-96-(trifluoromethyl)pyridine-3-carbonyl chlorideMFCD018626456-Trifluoromethylnicotinoyl chloride6-(trifluoromethyl)nicotinoylchloride6-(trifluoromethyl)nicotinyl chloride6-(trifluoromethyl)-3-pyridinecarbonyl chloride3-Pyridinecarbonyl chloride, 6-(trifluoromethyl)-SCHEMBL627545SCHEMBL303958836-trifluoromethyl nicotinoyl chloride6-Trifluoromethyl-nicotinoyl chlorideGEO-02390SBB094236AKOS005063516
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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