HCID486358

6-Fluoro-2-[(3-methoxy-5-methylphenyl)sulfonyl]benzenecarbonitrile

2-fluoro-6-(3-methoxy-5-methylphenyl)sulfonylbenzonitrile

C15H12FNO3S305.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(C)cc(S(=O)(=O)c2cccc(F)c2C#N)c1
InChIKey: YZKZBQADTUZVGT-UHFFFAOYSA-N
分子式: C15H12FNO3S
平均分子量: 305.3 g/mol
单同位素质量: 305.05219258

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 75.5 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 507

ALIASES

名称与别名

共 6 条

CHEMBL292381SCHEMBL8410317YZKZBQADTUZVGT-UHFFFAOYSA-N6-Fluoro-2-[(3-methoxy-5-methylphenyl)sulfonyl]benzenecarbonitrile2-fluoro-6-(3-methoxy-5-methyl-phenyl)sulfonyl-benzonitrile2-Fluoro-6-[(3 -methyl-5-methoxyphenyl)sulfonyl]benzonitrile

REACTIONS

参与反应

2 条

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

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

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