HCID486357

2-[(3,5-Dimethylphenyl)sulfonyl]-6-fluorobenzenecarbonitrile

2-(3,5-dimethylphenyl)sulfonyl-6-fluorobenzonitrile

C15H12FNO2S289.3 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C)cc(S(=O)(=O)c2cccc(F)c2C#N)c1
InChIKey: IIJZOAOJOVESFL-UHFFFAOYSA-N
分子式: C15H12FNO2S
平均分子量: 289.3 g/mol
单同位素质量: 289.05727796

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 66.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 20
形式电荷: 0
复杂度: 480

ALIASES

名称与别名

共 6 条

CHEMBL54166SCHEMBL8410056IIJZOAOJOVESFL-UHFFFAOYSA-N2-[(3,5-Dimethylphenyl)sulfonyl]-6-fluorobenzenecarbonitrile2-(3,5-dimethylphenyl)sulfonyl-6-fluoro-benzonitrile2-[(3,5-dimethylphenyl)sulfonyl]-6-fluorobenzonitrile

REACTIONS

参与反应

3 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723452

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723452

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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