结构:Cc1ccc(C(=O)Cl)cc1I
HCID17752157

3-Iodo-4-methylbenzoyl chloride

C8H6ClIO280.49 g/mol

IDENTITY

结构与身份

标准 SMILES
Cc1ccc(C(=O)Cl)cc1I
InChIKey
JCOQBCLTGOENLA-UHFFFAOYSA-N
分子式
C8H6ClIO
平均分子量
280.49 g/mol
单同位素质量
279.91519

COMPUTED

结构计算性质

已同步
XLogP
3.4
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
1
重原子
11
形式电荷
0
复杂度
160

ALIASES

名称与别名

17
3-iodo-4-methylbenzoyl chloride52107-98-9Benzoyl chloride, 3-iodo-4-methyl-MFCD170155623-iodo-4-methyl-benzoyl chlorideSCHEMBL5893803-iodo-4-methylbenzoylchloride3-Iodo-4methylbenzoyl chloride3-Iodo4-methylbenzoyl chlorideSCHEMBL316973643-iodo-4-methyl benzoyl chlorideJCOQBCLTGOENLA-UHFFFAOYSA-NAKOS025123938AS-33141DB-348319CS-0000091F467164

REACTIONS

参与反应

43
HRID97131

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 97131 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID146576

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为生成物
HRID 146576 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID282931

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 282931 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID292529

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 292529 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物