HCID15965523

2-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole

2-chloro-1-[(2-methyloxiran-2-yl)methyl]-4-nitroimidazole

C7H8ClN3O3217.61 g/mol

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IDENTITY

结构与身份

标准 SMILES: CC1(Cn2cc([N+](=O)[O-])nc2Cl)CO1
InChIKey: SZMDGYNOADBVSR-UHFFFAOYSA-N
分子式: C7H8ClN3O3
平均分子量: 217.61 g/mol
单同位素质量: 217.0254188

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 76.2 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 259

ALIASES

名称与别名

共 7 条

SCHEMBL58607SZMDGYNOADBVSR-UHFFFAOYSA-N2-Chloro-1-((2-methyloxiran-2-yl)methyl)-4-nitro-1h-imidazole681490-88-0DB-1924202-chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole2-chloro-1-[(2-methyloxiran-2-yl)methyl]-4-nitro-imidazole

REACTIONS

参与反应

37 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID153511

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID155548

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID169204

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID171184

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID182064

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

作为反应物

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

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HRID210879

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

作为反应物

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

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HRID291081

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

作为生成物

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

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HRID303980

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

作为反应物

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

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