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
- FC(F)(F)c1cc(Cl)c2nc(Cl)[nH]c2c1
- InChIKey
- OHWMGCCRVMEAIT-UHFFFAOYSA-N
- 分子式
- C8H3Cl2F3N2
- 平均分子量
- 255.02 g/mol
- 单同位素质量
- 253.962538
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 28.7 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 0
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 249
ALIASES
名称与别名
142356-73-82,7-dichloro-5-(trifluoromethyl)-1H-1,3-benzodiazole1H-Benzimidazole, 2,7-dichloro-5-(trifluoromethyl)-SCHEMBL1193064SCHEMBL243329312,4-Dichloro-6-trifluoromethyl-1H-benzoimidazole
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07582761B2
查看uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07582761B2
查看uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07582761B2
查看uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07582761B2
查看uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07582761B2
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