CAS 202197-26-0|3-chloro-4-[(3-fluorophenyl)methoxy]aniline|3-chloro-4-[(3-fluorophenyl)methoxy]aniline|3-Chloro-4-((3-fluorobenzyl)oxy)aniline|3-Chloro-4-[(3-fluorobenzyl)oxy]aniline|3-Chloro-4-[(3...

基本信息

化学结构

分子式

C₁₃H₁₁ClFNO

分子量

251.6839432

精确质量

251.05131988

电荷

InChI

InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2

InChIKey

AYPFEYDGZDPAPE-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)Cl)OCc1cccc(c1)F

Isomeric Smiles

Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.4392445

LogD (pH = 7.4)

3.4576287

Log P

3.4578683

摩尔折射率

66.8554

极化性

25.134842

极化表面积

35.25

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

3-chloro-4-[(3-fluorophenyl)methoxy]aniline

IUPAC传统名

3-chloro-4-[(3-fluorophenyl)methoxy]aniline

别名

3-Chloro-4-((3-fluorobenzyl)oxy)aniline3-Chloro-4-[(3-fluorobenzyl)oxy]aniline3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine3-Chloro-4-(3-fluorobenzyloxy)aniline [3-Chloro-4-(3-fluorobenzyloxy)phenyl]amine3-Chloro-4-[(3-fluorobenzyl)oxy]aniline4-(3-Fluorobenzyloxy)-3-chloroaniline3-Chloro-4-[(3-fluorophenyl)methoxy]aniline4-(3-fluorobenzyloxy)-3-chlorobenzenamine

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

数据登录号

化合物性质