CAS 101366-51-2|4-(4-methylphenyl)benzenesulfonyl chloride|4-(4-methylphenyl)benzene-1-sulfonyl chloride|4'-methyl[1,1'-biphenyl]-4-sulfonyl chloride|4'-methylbiphenyl-4-sulfonyl chloride|4-(4-Methy...

基本信息

化学结构

分子式

C₁₃H₁₁ClO₂S

分子量

266.74324

精确质量

266.01682827

电荷

InChI

InChI=1S/C13H11ClO2S/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)17(14,15)16/h2-9H,1H3

InChIKey

DBYXACYHGMSPMQ-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Cl

Isomeric Smiles

S(=O)(=O)(c1ccc(cc1)c1ccc(cc1)C)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.0801954

LogD (pH = 7.4)

4.0801954

Log P

4.0801954

摩尔折射率

70.4296

极化性

29.045841

极化表面积

34.14

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

4-(4-methylphenyl)benzenesulfonyl chloride

IUPAC标准名

4-(4-methylphenyl)benzene-1-sulfonyl chloride

别名

4'-methyl[1,1'-biphenyl]-4-sulfonyl chloride4'-methylbiphenyl-4-sulfonyl chloride4-(4-Methylphenyl)benzenesulfonyl chloride4′-Methylbiphenyl-4-sulfonyl chloride4-(p-Tolyl)benzenesulfonyl chloride4-(4-Methylphenyl)benzenesulphonyl chloride4-(Chlorosulphonyl)-4'-methylbiphenyl4'-Methyl-[1,1'-biphenyl]-4-sulphonyl chloride4-[4-(Chlorosulphonyl)phenyl]toluene4'-甲基联苯-4-磺酰氯4'-Methylbiphenyl-4-sulfonyl chloride

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

数据登录号

化合物性质