HRID829183
Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CCCC1CCC(C(=O)Cl)CC1
- InChIKey
- NMZPWKRKMBJEOZ-UHFFFAOYSA-N
- 分子式
- C10H17ClO
- 平均分子量
- 188.69 g/mol
- 单同位素质量
- 188.0967929
COMPUTED
结构计算性质
- XLogP
- 4.2
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 3
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 148
ALIASES
名称与别名
67589-88-24-propylcyclohexane-1-carbonyl chlorideCyclohexanecarbonyl chloride, 4-propyl-, trans-SCHEMBL4482942SCHEMBL7522154NMZPWKRKMBJEOZ-KYZUINATSA-NNMZPWKRKMBJEOZ-UHFFFAOYSA-N4-Propyl-cyclohexanecarbonyl chloridetrans-4-propylcyclohexanecarbonyl chloridetrans-4-n-propylcyclohexanecarbonyl chloridetrans-4-propylcyclohexanecarboxylic acid chloridetrans-4-n-propylcyclohexanecarboxylic acid chloride
REACTIONS
参与反应
HRID1138174
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1725181
uspto-grants-2009_02
作为反应物
uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07488832B2
查看条件与参与物HRID2161282
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
查看条件与参与物