CAS 454-89-7|3-(trifluoromethyl)benzaldehyde|α, α, α-Trifluoro-m-tolualdehyde|m-TRIFLUOROMETHYLBENZALDEHYDE|3-(trifluoromethyl)benzaldehyde|m-(TRIFLUOROMETHYL) BENZALDEHYDE|3-(Trif...

基本信息

化学结构

分子式

C₈H₅F₃O

分子量

174.1199096

精确质量

174.02924944

电荷

InChI

InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H

InChIKey

NMTUHPSKJJYGML-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cccc(c1)C(F)(F)F

Isomeric Smiles

c1c(C=O)cccc1C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.5635967

LogD (pH = 7.4)

2.5635967

Log P

2.5635967

摩尔折射率

38.6157

极化性

13.456357

极化表面积

17.07

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传统名

3-(trifluoromethyl)benzaldehyde m-(trifluoromethyl)benzoyl

别名

α, α, α-Trifluoro-m-tolualdehydem-TRIFLUOROMETHYLBENZALDEHYDEm-(TRIFLUOROMETHYL) BENZALDEHYDE3-(Trifluoromethyl)benzaldehyde3-Formylbenzotrifluoridealpha,alpha,alpha-Trifluoro-3-tolualdehyde3-(Trifluoromethyl)benzaldehyde 97%3-(三氟甲基)苯甲醛α,α,α-Trifluoro-m-tolualdehyde3-(Trifluoromethyl)benzaldehydeα,α,α-三氟间甲苯甲醛3-Trifluoromethylbenzaldehydealpha,alpha,alpha-Trifluoro-m-tolualdehyde

IUPAC标准名

3-(trifluoromethyl)benzaldehyde

名称和标识

数据登录号

CAS号

EC号

MDL号

Beilstein号