CAS 107534-96-3|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|tebuconazole|1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(±)-1-(4-Chlorophe...

基本信息

化学结构

分子式

C₁₆H₂₂ClN₃O

分子量

307.81838

精确质量

307.14514002

电荷

InChI

InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

InChIKey

PXMNMQRDXWABCY-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O

Isomeric Smiles

OC(CCc1ccc(cc1)Cl)(C(C)(C)C)Cn1ncnc1

计算属性

JChem

Acid pKa

13.862379

质子受体

质子供体

LogD (pH = 5.5)

3.6918397

LogD (pH = 7.4)

3.6920686

Log P

3.6920717

摩尔折射率

96.9033

极化性

32.906563

极化表面积

50.94

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol(±)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-olTebuconazoleα-[2-(4-Chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanolRaxilMicroban TZ(+/-)-TebuconazoleEliteFenetrazoleFolicur 200ECBAY-HWG 1608HorizonCorailOriusEthyltrianolHWG 1608EtiltrianolFolicurAtlas

IUPAC传统名

tebuconazole

IUPAC标准名

1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol

名称和标识

数据登录号

CAS号

107534-96-3

CHEMBL

487186

维基百科标题

Tebuconazole