CAS 1948-40-9|4-hydroxy-3,5-diiodobenzaldehyde|3,5-Diiodo4-hydroxybenzaldehyde|2,6-Diiodo-4-formylphenol|4-hydroxy-3,5-diiodobenzaldehyde|4-Hydroxy-3,5-diiodo-benzaldehyde|4-Hydroxy-3,5-diiodobenzal...

基本信息

化学结构

分子式

C₇H₄I₂O₂

分子量

373.9144

精确质量

373.83007537

电荷

InChI

InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H

InChIKey

WHLUEIMENHLCMY-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cc(I)c(c(c1)I)O

Isomeric Smiles

O=Cc1cc(c(c(c1)I)O)I

计算属性

JChem

Acid pKa

5.128243

质子受体

质子供体

LogD (pH = 5.5)

2.723148

LogD (pH = 7.4)

1.3792102

Log P

3.2400718

摩尔折射率

61.3479

极化性

23.68149

极化表面积

37.3

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

4-hydroxy-3,5-diiodobenzaldehyde

别名

3,5-Diiodo4-hydroxybenzaldehyde2,6-Diiodo-4-formylphenol4-Hydroxy-3,5-diiodo-benzaldehyde4-Hydroxy-3,5-diiodobenzaldehydeNSC 729433,5-Diiodo-4-hydroxybenzaldehyde4-Hydroxy-3,5-diiodobenzaldehyde3,5-二碘-4-羟基苯甲醛4-Hydroxy-3,5-diiodobenzaldehyde3,5-Diiodo-4-hydroxybenzaldehyde

IUPAC传统名

4-hydroxy-3,5-diiodobenzaldehyde

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID