HCID4369563

2',4'-Difluoro-4-hydroxy-5-iodo-1,1'-biphenyl-3-carboxylic acid

5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoic acid

C13H7F2IO3376.09 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cc(-c2ccc(F)cc2F)cc(I)c1O
InChIKey: SSYOLLIRAAWGDJ-UHFFFAOYSA-N
分子式: C13H7F2IO3
平均分子量: 376.09 g/mol
单同位素质量: 375.9408

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 342

ALIASES

名称与别名

共 12 条

IODODIFLUNISAL2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACIDCHEMBL12327385-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoic acidSCHEMBL5380998SCHEMBL29377136SSYOLLIRAAWGDJ-UHFFFAOYSA-NBDBM50527390FHI5-(2,4-difluorophenyl)-3-iodo-salicylic acidQ274602962',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-carboxylic acid

REACTIONS

参与反应

17 条

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 (8/10) · 10.1039/C8SC04228D

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