CAS 69399-79-7|3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride 97%|3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride|3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxa...

基本信息

化学结构

分子式

C₁₁H₆Cl₂FNO₂

分子量

274.0752432

精确质量

272.97596202

电荷

InChI

InChI=1S/C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3

InChIKey

XJCUKCOLGJDGGN-UHFFFAOYSA-N

Canonic Smiles

Fc1cccc(c1c1noc(c1C(=O)Cl)C)Cl

Isomeric Smiles

n1c(c2c(cccc2Cl)F)c(c(o1)C)C(=O)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.5080872

LogD (pH = 7.4)

3.5080874

Log P

3.5080874

摩尔折射率

63.5498

极化性

24.472082

极化表面积

43.1

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

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride 97%3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl Chloride3-(2-氯-6-氟苯基)-5-甲基异唑-4-羰基氯3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-oyl Chloride3-(6-Fluoro-2-chlorophenyl)-5-methylisoxazol-4-carbonyl Chloride

IUPAC传统名

3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride

IUPAC标准名

3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride

名称和标识

数据登录号

CAS号

69399-79-7

Beilstein号

6867336

PubChem CID

2736581