608-29-7 ((1,2,3-triiodobenzene)

快速询单

结构式：

1,2,3-triiodobenzeneMOL文件

CAS号：

608-29-7

英文名称：

1,2,3-triiodobenzene

分子式：

C₆H₃I₃

分子量：

455.801438570023

1,2,3-triiodobenzene(608-29-7)名称与标识符

名称

英文别名：

1,2,3-triiodobenzene;Benzene, 1,2,3-triiodo-;TRIIODOBENZENE;DTXSID50209642;608-29-7;SCHEMBL38083;

标识符

InChIKey：

RIWAPWDHHMWTRA-UHFFFAOYSA-N

Inchi：

1S/C6H3I3/c7-4-2-1-3-5(8)6(4)9/h1-3H

SMILES：

IC1C(=CC=CC=1I)I

1,2,3-triiodobenzene(608-29-7)物化性质

实验特性

PSA : 0
折射率 : 1.774
沸点 : 350.8°C at 760 mmHg
熔点 : 116.0 °C
闪点 : 183.3°C
密度 : 2.928

计算特性

精确分子量 : 455.73549
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 455.736879
重原子数量 : 9
复杂度 : 84.3
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 : 0
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） : 3.9
拓扑分子极性表面积 : 0

1,2,3-triiodobenzene(608-29-7)相关文献

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