CAS 10469-09-7|tetrachloropyridine-2-carboxylic acid|tetrachloropyridine-2-carboxylic acid|3,4,5,6-Tetrachloropyridine-2-carboxylic acid 97+%|3,4,5,6-Tetrachloropicolinic acid|Tetrachloropicolinic a...

基本信息

化学结构

分子式

C₆HCl₄NO₂

分子量

260.88964

精确质量

258.876139

电荷

InChI

InChI=1S/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13)

InChIKey

GXFRQLQUKBSYQL-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl

Isomeric Smiles

n1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O

计算属性

JChem

Acid pKa

3.1860023

质子受体

质子供体

LogD (pH = 5.5)

1.1449299

LogD (pH = 7.4)

-0.012510482

Log P

3.4353626

摩尔折射率

51.0658

极化性

19.906336

极化表面积

50.19

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

3,4,5,6-Tetrachloropyridine-2-carboxylic acid 97+%3,4,5,6-Tetrachloropicolinic acidTetrachloropicolinic acid3,4,5,6-四氯吡啶-2-羧酸3,4,5,6-Tetrachloropyridine-2-carboxylic acid3,4,5,6-tetrachloropicolinic acid3,4,5,6-Tetrachloro-pyridine-2-carboxylic acidTetrachloro-2-pyridinecarboxylic Acid3,4,5,6-Tetrachloropyridine-2-carboxylic AcidTetrachloro-2-picolinic AcidTetrachloropicolinic Acid

IUPAC标准名

tetrachloropyridine-2-carboxylic acid

IUPAC传统名

tetrachloropyridine-2-carboxylic acid

名称和标识

数据登录号

CAS号

10469-09-7

MDL号

MFCD00185833

PubChem SID

162043327