HCID327486

1-Methyl-5-nitro-2-styrylimidazole

1-methyl-5-nitro-2-(2-phenylethenyl)imidazole

C12H11N3O2229.23 g/molCAS 4750-56-5

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IDENTITY

结构与身份

标准SMILES: Cn1c([N+](=O)[O-])cnc1C=Cc1ccccc1
InChIKey: HGBWQGJWYQJSEA-UHFFFAOYSA-N
分子式: C12H11N3O2
平均分子量: 229.23 g/mol
单同位素质量: 229.0851266

COMPUTED

结构计算性质

已同步

XLogP: 1.3
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: 17
形式电荷: 0
复杂度: 295

ALIASES

名称与别名

共 6 条

1-methyl-5-nitro-2-(2-phenylethenyl)imidazoleSCHEMBL11208496DTXSID90316369HGBWQGJWYQJSEA-UHFFFAOYSA-N1-methyl-5-nitro-2-styrylimidazole1-Methyl-5-nitro-2-(2-phenylethen-1-yl)-1H-imidazole

REACTIONS

参与反应

6 条

uspto-grants-1976_03 · 10.6084/m9.figshare.5104873.v1 · US03947467

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uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04029671

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uspto-grants-1978_02 · 10.6084/m9.figshare.5104873.v1 · US04075222

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uspto-grants-1977_01 · 10.6084/m9.figshare.5104873.v1 · US04001230

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-1976_09 · 10.6084/m9.figshare.5104873.v1 · US03980794

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