HCID639974

4-(Decyloxy)-3-fluorobenzoic acid

4-decoxy-3-fluorobenzoic acid

C17H25FO3296.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCCCOc1ccc(C(=O)O)cc1F
InChIKey: XVICHYQFMAVOKG-UHFFFAOYSA-N
分子式: C17H25FO3
平均分子量: 296.4 g/mol
单同位素质量: 296.17877282

COMPUTED

结构计算性质

已同步

XLogP: 6
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 11
重原子: 21
形式电荷: 0
复杂度: 283

ALIASES

名称与别名

共 7 条

4-(decyloxy)-3-fluorobenzoic acidSCHEMBL86460094-decyloxy-3-fluorobenzoic acid3-fluoro-4-decyloxy benzoic acidXVICHYQFMAVOKG-UHFFFAOYSA-Nbenzoic acid, 4-(decyloxy)-3-fluoro-InChI=1/C17H25FO3/c1-2-3-4-5-6-7-8-9-12-21-16-11-10-14(17(19)20)13-15(16)18/h10-11,13H,2-9,12H2,1H3,(H,19,20

REACTIONS

参与反应

4 条

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

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

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uspto-grants-1998_05 · 10.6084/m9.figshare.5104873.v1 · US05750050

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uspto-grants-1992_03 · 10.6084/m9.figshare.5104873.v1 · US05098602

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