CAS 882-09-7|2-(4-chlorophenoxy)-2-methylpropanoic acid|clofibric acid|2-(4-Chlorophenoxy)-2-methylpropanoic acid|fibrates|2-(p-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID|CLOFIBRIC ACID|Clofibrin|Chlorof...

基本信息

化学结构

分子式

C₁₀H₁₁ClO₃

分子量

214.64554

精确质量

214.03967189

电荷

InChI

InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)

InChIKey

TXCGAZHTZHNUAI-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C(Oc1ccc(cc1)Cl)(C)C

Isomeric Smiles

C(C(=O)O)(Oc1ccc(Cl)cc1)(C)C

计算属性

JChem

Acid pKa

3.3717146

质子受体

质子供体

LogD (pH = 5.5)

0.7845361

LogD (pH = 7.4)

-0.51076025

Log P

2.8991327

摩尔折射率

52.6178

极化性

20.796692

极化表面积

46.53

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标准名

2-(4-chlorophenoxy)-2-methylpropanoic acid

IUPAC传统名

clofibric acid fibrates

别名

2-(4-Chlorophenoxy)-2-methylpropanoic acid2-(p-CHLOROPHENOXY)-2-METHYLPROPIONIC ACIDCLOFIBRIC ACIDClofibrinChlorofibrinic acid2-(p-Chlorophenoxy)-2-methylpropionic acidα-(p-Chlorophenoxy)isobutyric acidα-(对氯苯氧基)异丁酸降固醇酸Clofibric acid4-氯苯氧异丁酸α-(p-CHLOROPHENOXY)ISOBUTYRIC ACIDp-Chlorophenoxyisobutyric acidPCIB2-(p-Chlorophenoxy)-2-methyl-propionic acidα-(p-Chlorophenoxy)isobutyric acidArteriohomRegulipid2-(4-Chlorophenoxy)-2-methylpropanoic AcidChlorophibrinic Acid2-(p-Chlorophenoxy)-2-methylpropionic Acid

名称和标识

数据登录号

CAS号

MDL号

美国药典/FDA物质标识码

CHEMBL

CHEBI ID