HCID22929697

1-(5-Bromo-2-methoxy-3-nitrophenyl)ethan-1-one

1-(5-bromo-2-methoxy-3-nitrophenyl)ethanone

C9H8BrNO4274.07 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1c(C(C)=O)cc(Br)cc1[N+](=O)[O-]
InChIKey: PVSWQZFTEOYXDY-UHFFFAOYSA-N
分子式: C9H8BrNO4
平均分子量: 274.07 g/mol
单同位素质量: 272.96367

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 72.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 265

ALIASES

名称与别名

共 9 条

1-(5-Bromo-2-methoxy-3-nitrophenyl)ethan-1-one474554-55-71-(5-Bromo-2-methoxy-3-nitrophenyl)-1-ethanone1-(5-bromo-2-methoxy-3-nitrophenyl)ethanoneSCHEMBL1728806PVSWQZFTEOYXDY-UHFFFAOYSA-NMFCD299664301-(5-bromo-2-methoxy-3-nitro-phenyl)ethanoneA1-08765

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07244730B2

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07244730B2

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