HCID80163

1-(2-Bromoethyl)-2-methyl-5-nitroimidazole

C6H8BrN3O2234.05 g/molCAS 6058-57-7

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IDENTITY

结构与身份

标准SMILES: Cc1ncc([N+](=O)[O-])n1CCBr
InChIKey: HCKPAAMFYJPGMI-UHFFFAOYSA-N
分子式: C6H8BrN3O2
平均分子量: 234.05 g/mol
单同位素质量: 232.97999

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 63.6 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 173

ALIASES

名称与别名

共 22 条

1-(2-Bromoethyl)-2-methyl-5-nitroimidazole6058-57-7Imidazole, 1-(2-bromoethyl)-2-methyl-5-nitro-763GR21E37DTXSID90209383BR-80RefChem:1053913DTXCID101318741-(2-bromoethyl)-2-methyl-5-nitro-1h-imidazole1-(2-BROMO-ETHYL)-2-METHYL-5-NITRO-1H-IMIDAZOLEBRN 0611686UNII-763GR21E371H-Imidazole, 1-(2-bromoethyl)-2-methyl-5-nitro-SCHEMBL4273201HCKPAAMFYJPGMI-UHFFFAOYSA-NAKOS015917351AKOS015967290AC-6396DB-0023431-(2-bromoethyl)-2-methyl-5-nitroimidazol

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1979_07 · 10.6084/m9.figshare.5104873.v1 · US04160096

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