HCID57618723

Methyl 5-bromo-3-nitrothiophene-2-carboxylate

C6H4BrNO4S266.07 g/molCAS 99839-45-9

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1sc(Br)cc1[N+](=O)[O-]
InChIKey: NICPTWQVTNENRZ-UHFFFAOYSA-N
分子式: C6H4BrNO4S
平均分子量: 266.07 g/mol
单同位素质量: 264.90444

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 100 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 231

ALIASES

名称与别名

共 10 条

Methyl 5-bromo-3-nitrothiophene-2-carboxylate99839-45-9SCHEMBL4180845DTXSID30727334NICPTWQVTNENRZ-UHFFFAOYSA-NMFCD26793529DA-32353Methyl5-bromo-3-nitrothiophene-2-carboxylateG829695-bromo-3-nitrothiophene-2-carboxylic acid methyl ester

REACTIONS

参与反应

5 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08828991B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08853208B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08853208B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08853208B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08853208B2

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