HCID67977

3-(2-Fluorophenyl)prop-2-enoic acid

C9H7FO2166.15 g/molCAS 18944-77-9

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IDENTITY

结构与身份

标准SMILES: O=C(O)C=Cc1ccccc1F
InChIKey: IOUDZAFBPDDAMK-UHFFFAOYSA-N
分子式: C9H7FO2
平均分子量: 166.15 g/mol
单同位素质量: 166.04300762

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 189

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 14 条

451-69-43-(2-fluorophenyl)prop-2-enoic acid2-Propenoic acid, 3-(fluorophenyl)-(2e)-3-(2-fluorophenyl)acrylic acidEINECS 242-697-66-fluorocinnamic acid2-fluoro-cinnamic acidNCIOpen2_000622SCHEMBL79638SCHEMBL1510539SCHEMBL29365442IOUDZAFBPDDAMK-UHFFFAOYSA-NAKOS025243336DB-021129

REACTIONS

参与反应

63 条

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

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

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

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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 (6/10) · 10.1039/C8SC04228D

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

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