HCID7195

5-Nitrobenzimidazole

6-nitro-1H-benzimidazole

C7H5N3O2163.13 g/molCAS 94-52-0

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1ccc2nc[nH]c2c1
InChIKey: XPAZGLFMMUODDK-UHFFFAOYSA-N
分子式: C7H5N3O2
平均分子量: 163.13 g/mol
单同位素质量: 163.03817641

COMPUTED

结构计算性质

等待补全

XLogP: 1.6
极性表面积: 74.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 192

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 119 条

5-NITROBENZIMIDAZOLE94-52-06-Nitrobenzimidazole5-Nitro-1H-benzimidazole1H-Benzimidazole, 5-nitro-1H-Benzimidazole, 6-nitro-5(6)-Nitrobenzimidazole6-Nitro-benzimidazoleBenzimidazole, 5-nitro-Benzimidazole, 6-nitro-NCI-C01912CCRIS 442DTXSID8020965HSDB 2864NSC 3068EINECS 202-341-2A7V95AYT2TNSC 58858AI3-52609Benzimidazole, 5(or 6)-nitro-

REACTIONS

参与反应

49 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05242931

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151280

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1976_03 · 10.6084/m9.figshare.5104873.v1 · US03947434

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uspto-grants-1976_03 · 10.6084/m9.figshare.5104873.v1 · US03947434

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US04999363

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