CAS 932-22-9|4,5-dichloro-2,3-dihydropyridazin-3-one|4,5-Dichloro-2,3-dihydro-3-oxopyridazine|4,5-dichloro-2H-pyridazin-3-one|4,5-Dichloropyridazin-3(2H)-one|4,5-Dichloro-3-hydroxypyridazine|4,5-二...

基本信息

化学结构

分子式

C₄H₂Cl₂N₂O

分子量

164.97748

精确质量

163.95441805

电荷

InChI

InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)

InChIKey

VJWXIRQLLGYIDI-UHFFFAOYSA-N

Canonic Smiles

Clc1c(Cl)cn[nH]c1=O

Isomeric Smiles

c1(c(=O)[nH]ncc1Cl)Cl

计算属性

JChem

Acid pKa

8.032361

质子受体

质子供体

LogD (pH = 5.5)

0.7674711

LogD (pH = 7.4)

0.68897843

Log P

0.76859856

摩尔折射率

35.5435

极化性

12.997762

极化表面积

41.46

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传统名

4,5-dichloro-2H-pyridazin-3-one

别名

4,5-Dichloro-2,3-dihydro-3-oxopyridazine4,5-Dichloropyridazin-3(2H)-one4,5-二氯-3-羟基哒嗪4,5-Dichloro-3-hydroxypyridazine4,5-二氯哒嗪-3(2H)-酮NSC 161274,5-Dichloro-6-oxo-1H-pyridazine4,5-Dichloro-2H-pyridazin-3-one4,5-Dichloro-3(2H)-pyridazoneNSC 17182NSC 2400224,5-Dichloro-6-pyridazone3-Hydroxy-4,5-dichloropyridazine4,5-Dichloro-3(2H)-pyridazinone4,5-Dichloro-3-hydroxypyridazine4,5-Dichloropyridazin-3(2H)-one4,5-二氯哒嗪3(2H)酮4,5-Dichloro-3(2H)-pyridazinone

IUPAC标准名

4,5-dichloro-2,3-dihydropyridazin-3-one

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

Beilstein号