HCID313137

1-Fluoro-4-methanesulfonyl-2-nitrobenzene

1-fluoro-4-methylsulfonyl-2-nitrobenzene

C7H6FNO4S219.19 g/molCAS 453-72-5

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIKey: OUSNDSFSTBZESM-UHFFFAOYSA-N
分子式: C7H6FNO4S
平均分子量: 219.19 g/mol
单同位素质量: 219.00015701

COMPUTED

结构计算性质

等待补全

XLogP: 1.1
极性表面积: 88.3 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 318

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 39 条

1-fluoro-4-methanesulfonyl-2-nitrobenzeneRefChem:432835671-227-6453-72-51-fluoro-4-(methylsulfonyl)-2-nitrobenzene4-Methylsulfonyl-2-nitrofluorobenzene1-fluoro-4-methylsulfonyl-2-nitrobenzeneMFCD000250664-fluoro-3-nitrophenyl methyl sulfone4-Fluoro-3-nitrophenyl methyl sulphone2-Fluoro-5-methyl sulfonyl nitrobenzene1-fluoro-4-methylsulfonyl-2-nitro-benzene2-fluoro-5-methylsulfonylnitrobenzeneNSC226257SCHEMBL550564SCHEMBL14008592SCHEMBL29550525DTXSID70310380OUSNDSFSTBZESM-UHFFFAOYSA-N4-fluoro-3-nitrophenyl methylsulfone

REACTIONS

参与反应

17 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384967B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 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-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759535B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063081B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897628B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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