HCID9935

2-Fluorobenzoic acid

C7H5FO2140.11 g/molCAS 41406-98-8

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccccc1F
InChIKey: NSTREUWFTAOOKS-UHFFFAOYSA-N
分子式: C7H5FO2
平均分子量: 140.11 g/mol
单同位素质量: 140.02735756

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 136

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 67 条

2-FLUOROBENZOIC ACID445-29-4o-Fluorobenzoic acidBenzoic acid, 2-fluoro-Benzoic acid, o-fluoro-ortho-Fluorobenzoic acid64UZ32KOO4NSC-10319DTXSID1060001CHEBI:19577RefChem:472615DTXCID5040338207-158-1MFCD00002405fluorobenzoic acido-FluorbenzoesaeureNSC 1031941406-98-8o-Fluorobenzoic Acid; NSC 10319;o-Fluorbenzoesaeure [German]

REACTIONS

参与反应

144 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732600B2

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uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05411980

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09439890B2

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uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04613613

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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 (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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