HCID9901028

2-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene

2-[(4-chlorophenyl)sulfonylmethyl]-1,4-difluorobenzene

C13H9ClF2O2S302.72 g/molCAS 470716-51-9

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IDENTITY

结构与身份

标准SMILES: O=S(=O)(Cc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIKey: HHEQSSURHUQFCS-UHFFFAOYSA-N
分子式: C13H9ClF2O2S
平均分子量: 302.72 g/mol
单同位素质量: 301.9979847

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 42.5 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 388

ALIASES

名称与别名

共 24 条

470716-51-92-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene2-((4-CHLOROPHENYLSULFONYL)METHYL)-1,4-DIFLUOROBENZENE2-[(4-Chlorophenyl)sulfonylmethyl]-1,4-difluorobenzeneMFCD118466112-[(4-chlorobenzenesulfonyl)methyl]-1,4-difluorobenzeneCHEMBL1948202-(((4-Chlorophenyl)sulfonyl)-methyl)-1,4-difluorobenzene2-[(4-chlorophenyl)sulfonylmethyl]-1,4-difluoro-benzene2-[[(4-chlorophenyl)sulfonyl]methyl]-1,4-difluorobenzene2-{[(4-chlorophenyl)sulfonyl]methyl}-1,4-difluorobenzeneC13H9ClF2O2SSCHEMBL1062719DTXSID10432595HHEQSSURHUQFCS-UHFFFAOYSA-NCS-M0981BDBM50166711AKOS015899331AB93234DB-354618

REACTIONS

参与反应

75 条

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HRID97055

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

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HRID136273

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID141270

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID156320

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID163117

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID187032

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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HRID187066

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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HRID190610

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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