CAS 97-23-4|4-Chloro-2-(5-chloro-2-hydroxybenzyl)phenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Bis(5-chloro-2-hydroxyphenyl)methane|4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol|trivex|Di...

基本信息

化学结构

分子式

C₁₃H₁₀Cl₂O₂

分子量

269.1233

精确质量

268.00578492

电荷

InChI

InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

InChIKey

MDNWOSOZYLHTCG-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl

Isomeric Smiles

Clc1cc(c(cc1)O)Cc1cc(ccc1O)Cl

计算属性

JChem

Acid pKa

7.210646

质子受体

质子供体

LogD (pH = 5.5)

4.6576724

LogD (pH = 7.4)

4.2583914

Log P

4.6659985

摩尔折射率

69.3666

极化性

26.635624

极化表面积

40.46

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

4-Chloro-2-(5-chloro-2-hydroxybenzyl)phenolBis(5-chloro-2-hydroxyphenyl)methane5,5'-Dichloro-2,2'-dihydroxydiphenylmethaneTeniotol2,2'-Dihydroxy-5,5'-dichlorodiphenylmethaneDicestalDichloropheneDDDMDichlorophenDiclorofenDichlorofenFungicide GM5,5'-Dichloro-2,2'-dihydroxydiphenylmethaneDichlorphenBis(chlorohydroxyphenyl)methane4,4'-Dichloro-2,2'-methylenediphenolVermithana2,2'-Methylenebis[4-chlorophenol2,2'-Methylenebis[4-chlorophenol]EmbephenDDMDiphenthane 70Diphentane 70DifentanAnthiphen2,2'-Methylenebis(4-chlorophenol)2,2'-亚甲基双(4-氯苯酚)DichlorophenDichloropheneDidroxanDidroxaneCordocelDichlorophene 10AntifenBis(2-hydroxy-5-chlorophenyl)methaneDichlorophen B双(5-氯-2-羟苯基)甲烷双氯酚二氯芬Bis(5-chloro-2-hydroxyphenyl)methane双氯酚DichloropheneDichlorophen

IUPAC标准名

4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol

IUPAC传统名

trivex

名称和标识

数据登录号

Beilstein号

1884514

MDL号

MFCD00002322

CAS号

97-23-4