CAS 103962-10-3|4-(Trifluoromethoxy)phenacyl bromide|2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone|2-bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one|2-Bromo-4'-(trifluoromethoxy)acetophenone|2-Brom...

基本信息

化学结构

分子式

C₉H₆BrF₃O₂

分子量

283.0419496

精确质量

281.95032609

电荷

InChI

InChI=1S/C9H6BrF3O2/c10-5-8(14)6-1-3-7(4-2-6)15-9(11,12)13/h1-4H,5H2

InChIKey

AOAGGWLQIILIIV-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)OC(F)(F)F

Isomeric Smiles

c1c(ccc(c1)C(=O)CBr)OC(F)(F)F

计算属性

JChem

Acid pKa

15.576335

质子受体

质子供体

LogD (pH = 5.5)

3.684844

LogD (pH = 7.4)

3.684844

Log P

3.684844

摩尔折射率

47.2678

极化性

19.122066

极化表面积

26.3

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

别名

4-(Trifluoromethoxy)phenacyl bromide2-Bromo-4'-(trifluoromethoxy)acetophenone2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one4-(Trifluoromethoxy)phenacyl bromide 97%2-bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one2-Bromo-4'-(trifluoromethoxy)acetophenone2-Bromo-4′-(trifluoromethoxy)acetophenone2-Brom-4′-(trifluormethoxy)-acetophenon2-溴-4′-(三氟甲氧基)苯乙酮4-(三氟甲氧基)苯甲酰甲基溴4-(Trifluoromethoxy)phenacyl bromide

IUPAC传统名

2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone

IUPAC标准名

2-bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one

名称和标识

数据登录号

CAS号

103962-10-3

MDL号

MFCD00052333

PubChem CID

2778691