CAS 2736-23-4|2,4-dichloro-5-sulfamoylbenzoic acid|2,4-Dichloro-5-sulfamoyl-benzoic acid|2,4-dichloro-5-sulfamoylbenzoic acid|2,4-Dichloro-5-sulphamoylbenzoic acid|5-(Aminosulphonyl)-2,4-dichloroben...

基本信息

化学结构

分子式

C₇H₅Cl₂NO₄S

分子量

270.0899

精确质量

268.93163401

电荷

InChI

InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)

InChIKey

ZSHHRBYVHTVRFK-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N

Isomeric Smiles

S(=O)(=O)(c1cc(c(cc1Cl)Cl)C(=O)O)N

计算属性

JChem

Acid pKa

2.8004656

质子受体

质子供体

LogD (pH = 5.5)

-1.1958032

LogD (pH = 7.4)

-2.0717635

Log P

1.4449488

摩尔折射率

55.0817

极化性

22.077518

极化表面积

97.46

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

别名

2,4-Dichloro-5-sulfamoyl-benzoic acid2,4-Dichloro-5-sulphamoylbenzoic acid5-(Aminosulphonyl)-2,4-dichlorobenzoic acid5-Carboxy-2,4-dichlorobenzenesulfonamide2,4-dichloro-5-sulfamoylbenzoic acid5-Aminosulfonyl-2,4-dichlorobenzoic acid5-(Aminosulfonyl)-2,4-dichlorobenzoic Acid3-Sulfamoyl-4,6-dichlorobenzoic acid2,4-Dichloro-5-sulfamoyl benzoic acid2,4-二氯-5-氨磺酰基苯甲酸2,4-Dichloro-5-sulfamoylbenzoic acid

IUPAC传统名

2,4-dichloro-5-sulfamoylbenzoic acid

IUPAC标准名

2,4-dichloro-5-sulfamoylbenzoic acid

名称和标识

数据登录号

CAS号

2736-23-4

MDL号

MFCD00007931

EC号

220-358-3