uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211232B1
查看IDENTITY
结构与身份
- 标准SMILES
- NC(=NO)c1c(C(F)(F)F)ccc(F)c1F
- InChIKey
- VYYGIBIHKAKDQL-UHFFFAOYSA-N
- 分子式
- C8H5F5N2O
- 平均分子量
- 240.13 g/mol
- 单同位素质量
- 240.0322036
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 58.6 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 1
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 280
ALIASES
名称与别名
180410-47-32,3-Difluoro-N-hydroxy-6-(trifluoromethyl)benzimidamide2,3-Difluoro-N-hydroxy-6-(trifluoromethyl)-benzimidamide2,3-difluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamideSCHEMBL79169302,3 difluoro-6-trifluoromethylbenzamidoxime2,3-difluoro-6-trifluoromethylbenzamidoximeDB-292158
REACTIONS
参与反应
uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211232B1
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查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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