(4-chloro-2-fluorophenyl)methanesulfonyl chloride

• ChemBase编号: 309681
• 分子式: C7H5Cl2FO2S
• 平均质量: 243.0828032
• 单一同位素质量: 241.93713398
• SMILES: S(=O)(=O)(Cc1c(cc(cc1)Cl)F)Cl
• Canonical SMILES: Clc1ccc(c(c1)F)CS(=O)(=O)Cl
• InChI: InChI=1S/C7H5Cl2FO2S/c8-6-2-1-5(7(10)3-6)4-13(9,11)12/h1-3H,4H2
• InChIKey: WRWQIURFCWLMRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-chloro-2-fluorophenyl)methanesulfonyl chloride
• IUPAC传统名: (4-chloro-2-fluorophenyl)methanesulfonyl chloride
• 别名: (4-chloro-2-fluorophenyl)methanesulfonyl chloride

登记号

• MDL号: MFCD11976098

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4284317
• LogD (pH = 7.4): 2.4284317
• Log P: 2.4284317
• 摩尔折射率: 49.8608 cm^3
• 极化性: 20.029514 Å^3
• 极化表面积: 34.14 Å^2