HRID190357
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CC12CCCN1C(C(Cl)(Cl)Cl)OC2=O
- InChIKey
- CQNBNGSUEQTECE-UHFFFAOYSA-N
- 分子式
- C8H10Cl3NO2
- 平均分子量
- 258.5 g/mol
- 单同位素质量
- 256.977712
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 29.5 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 278
ALIASES
名称与别名
SCHEMBL4230173CQNBNGSUEQTECE-UHFFFAOYSA-N7a-methyl-3-(trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one
REACTIONS
参与反应
HRID699719
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID712817
uspto-grants-2015_11
作为生成物
uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181279B2
查看条件与参与物HRID2320025
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看条件与参与物