CAS 82657-04-3|Bifenthrin|(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate|(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-(2-chlor...

基本信息

化学结构

分子式

C₂₃H₂₂ClF₃O₂

分子量

422.8677896

精确质量

422.12604228

电荷

InChI

InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20-/m1/s1

InChIKey

OMFRMAHOUUJSGP-UYAOXDASSA-N

Canonic Smiles

O=C([C@H]1[C@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1

Isomeric Smiles

Cl/C(=C\[C@@H]1[C@H](C(=O)OCc2cccc(c3ccccc3)c2C)C1(C)C)/C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

6.589956

LogD (pH = 7.4)

6.589956

Log P

6.589956

摩尔折射率

109.1416

极化性

42.191174

极化表面积

26.3

可自由旋转的化学键

里宾斯基五规则

false

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

Bifenthrin3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylic acid (2-methylbiphenyl-3-yl)methyl esterBifenthrin联苯菊酯溶液3-[(1Z)-2-氯-3,3,3-三氟-1-丙烯基]-2,2-二甲基环丙烷羧酸(2-甲基联苯-3-基)甲基酯氟氯菊酯Bifenthrin solution

IUPAC传统名

(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

IUPAC标准名

(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

名称和标识

数据登录号

Chemspider ID

9114004

PubChem CID

10938769

CHEMBL

44019