HCID75259

2-Chloro-4-fluorobenzoic acid

C7H4ClFO2174.55 g/molCAS 2252-51-9

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccc(F)cc1Cl
InChIKey: GRPWQLDSGNZEQE-UHFFFAOYSA-N
分子式: C7H4ClFO2
平均分子量: 174.55 g/mol
单同位素质量: 173.9883852

COMPUTED

结构计算性质

等待补全

XLogP: 2.3
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: 11
形式电荷: 0
复杂度: 163

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 36 条

2-Chloro-4-fluorobenzoic acid2252-51-9Benzoic acid, 2-chloro-4-fluoro-EINECS 218-845-0DTXSID90177038RefChem:468992DTXCID5099529218-845-0MFCD000106152-chloro-4-fluoro benzoic acid2-chloro-4-fluoro-benzoic acid2-Chloro-4-fluorobenzoicacid9YN25TY8VVSCHEMBL1953104-Fluoro-2-chlorobenzoic acidSCHEMBL31520452-chloro 4-fluoro benzoic acid4-fluoro-2-chloro-benzoic acidCS-D1753SBB003795

REACTIONS

参与反应

39 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849618B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703503B2

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

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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 (8/10) · 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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