19183-20-1 ((1H-Imidazole, 1-methyl-2,4,5-trinitro-)

快速询单

结构式：

1H-Imidazole, 1-methyl-2,4,5-trinitro-MOL文件

CAS号：

19183-20-1

英文名称：

1H-Imidazole, 1-methyl-2,4,5-trinitro-

分子式：

C₄H₃N₅O₆

分子量：

217.096519708633

1H-Imidazole, 1-methyl-2,4,5-trinitro-(19183-20-1)名称与标识符

名称

英文别名：

1H-Imidazole, 1-methyl-2,4,5-trinitro-;SCHEMBL650513;MNYFLTUIJHCVIQ-UHFFFAOYSA-N;19183-20-1;1-methyl-2,4,5-trinitroimidazole;1-methyl 2,4,5-trinitroimidazole;DTXSID401301728;

标识符

InChIKey：

MNYFLTUIJHCVIQ-UHFFFAOYSA-N

Inchi：

1S/C4H3N5O6/c1-6-3(8(12)13)2(7(10)11)5-4(6)9(14)15/h1H3

SMILES：

[O-][N+](C1=C([N+](=O)[O-])N=C([N+](=O)[O-])N1C)=O

1H-Imidazole, 1-methyl-2,4,5-trinitro-(19183-20-1)物化性质

计算特性

精确分子量 : 217.00833283g/mol
氢键供体数量 : 0
氢键受体数量 : 7
可旋转化学键数量 : 0
同位素质量 : 217.00833283g/mol
重原子数量 : 15
复杂度 : 302
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） : 0.5
拓扑分子极性表面积 : 155Å²

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19183-20-1 ((1H-Imidazole, 1-methyl-2,4,5-trinitro-)

1H-Imidazole, 1-methyl-2,4,5-trinitro-(19183-20-1)名称与标识符

名称

标识符

1H-Imidazole, 1-methyl-2,4,5-trinitro-(19183-20-1)物化性质

计算特性

1H-Imidazole, 1-methyl-2,4,5-trinitro-(19183-20-1)相关文献

目录