422-57-1 ((Propane,3-chloro-1,1,1,2,2,3-hexafluoro-)

快速询单

结构式：

Propane,3-chloro-1,1,1,2,2,3-hexafluoro-MOL文件

CAS号：

422-57-1

英文名称：

Propane,3-chloro-1,1,1,2,2,3-hexafluoro-

分子式：

C₃HClF₆

分子量：

186.483461141586

Propane,3-chloro-1,1,1,2,2,3-hexafluoro-(422-57-1)名称与标识符

名称

英文别名：

Propane,3-chloro-1,1,1,2,2,3-hexafluoro-;3-chloro-1,1,1,2,2,3-hexafluoropropane;1-Chloro-1,2,2,3,3,3-hexafluoropropane;HCFC 226ca;R 226ca;HCFC-226ca;PUFSJRPTJJPPJP-UHFFFAOYSA-N;DTXSID20455371;134308-72-8;422-57-1;SCHEMBL250358;

标识符

InChIKey：

PUFSJRPTJJPPJP-UHFFFAOYSA-N

Inchi：

1S/C3HClF6/c4-1(5)2(6,7)3(8,9)10/h1H

SMILES：

ClC(C(C(F)(F)F)(F)F)F

Propane,3-chloro-1,1,1,2,2,3-hexafluoro-(422-57-1)物化性质

实验特性

PSA : 0
折射率 : 1.2173 (estimate)
沸点 : 16.74°C (rough estimate)
密度 : 1.2904 (estimate)

计算特性

精确分子量 : 185.96713
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 1
同位素质量 : 185.9670967g/mol
重原子数量 : 10
复杂度 : 117
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.1
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 0Å²

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