HCID7487

p-Nitroacetophenone

1-(4-nitrophenyl)ethanone

C8H7NO3165.15 g/molCAS 100-19-6

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: YQYGPGKTNQNXMH-UHFFFAOYSA-N
分子式: C8H7NO3
平均分子量: 165.15 g/mol
单同位素质量: 165.04259309

COMPUTED

结构计算性质

等待补全

XLogP: 1.5
极性表面积: 62.9 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 189

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 85 条

4'-Nitroacetophenone100-19-6p-Nitroacetophenone1-(4-Nitrophenyl)ethanone4-NITROACETOPHENONEp-AcetylnitrobenzeneEthanone, 1-(4-nitrophenyl)-p-Nitrophenyl methyl ketoneParanitroacetophenonePNAPAcetophenone, 4'-nitro-Methyl-p-nitrophenyl ketone4-Acetylnitrobenzene1-Acetyl-4-nitrobenzeneDTXSID10257244-nitrophenyl methyl ketoneMethyl 4-nitrophenyl ketone4FM2J8HQ27NSC-41590DTXCID105724

REACTIONS

参与反应

88 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728010B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419988B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427623B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427623B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541448B2

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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-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560552B2

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