CAS 320-51-4|5-Amino-2-chlorobenzotrifluoride|ACBT|4-chloro-3-(trifluoromethyl)aniline|4-chloro-3-(trifluoromethyl)aniline|4-Chloro-3-(trifluoromethyl)aniline|5-Amino-2-chlorobenzotrifluoride 97%|5-...

基本信息

化学结构

分子式

C₇H₅ClF₃N

分子量

195.5695096

精确质量

195.00626151

电荷

InChI

InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

InChIKey

ASPDJZINBYYZRU-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)C(F)(F)F)Cl

Isomeric Smiles

c1(c(ccc(c1)N)Cl)C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.6256418

LogD (pH = 7.4)

2.626206

Log P

2.626213

摩尔折射率

41.5369

极化性

14.6638775

极化表面积

26.02

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

5-Amino-2-chlorobenzotrifluoride4-chloro-3-(trifluoromethyl)aniline4-Chloro-3-(trifluoromethyl)aniline5-Amino-2-chlorobenzotrifluoride 97%5-Amino-2-chlorobenzotrifluoride4-Chloro-α,α,α-trifluoro-m-toluidine4-氯-α,α,α-三氟间甲苯胺4-Chloro-3-(trifluoromethyl)-benzenamine4-Chloro-3-(trifluoromethyl)benzenamine2-Chloro-5-aminobenzotrifluoride5-氨基-2-氯三氟甲苯4-氯-3-(三氟甲基)苯胺4-Chloro-3-(trifluoromethyl)aniline3-(Trifluoromethyl)-4-chloroaniline3-Amino-6-chlorobenzotrifluoride(4-Chloro-3-trifluoromethylphenyl)amineNSC 614055-氨基-2-氯三氟甲苯

IUPAC传统名

ACBT

IUPAC标准名

4-chloro-3-(trifluoromethyl)aniline

名称和标识

数据登录号

MDL号

MFCD00007846

CAS号

320-51-4

PubChem SID

24890881160970128