HCID697776

3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide

C8H9ClFNO2S237.68 g/mol

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IDENTITY

结构与身份

标准SMILES: CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIKey: ZXYMYAGGEHXBMR-UHFFFAOYSA-N
分子式: C8H9ClFNO2S
平均分子量: 237.68 g/mol
单同位素质量: 237.0026556

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 45.8 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: 288

ALIASES

名称与别名

共 8 条

3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide613657-56-0SCHEMBL2066242ZXYMYAGGEHXBMR-UHFFFAOYSA-NAKOS002211484DB-339300ST50133688[(3-chloro-4-fluorophenyl)sulfonyl]dimethylamine

REACTIONS

参与反应

6 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745475B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745475B2

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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 (6/10) · 10.1039/C8SC04228D

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

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148572B2

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