HCID1268166

1-(2-Chloro-4-fluorophenyl)cyclohexanecarboxylic acid

1-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxylic acid

C13H14ClFO2256.7 g/molCAS 214263-02-2

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IDENTITY

结构与身份

标准SMILES: O=C(O)C1(c2ccc(F)cc2Cl)CCCCC1
InChIKey: LASDSPQVVMYXNX-UHFFFAOYSA-N
分子式: C13H14ClFO2
平均分子量: 256.7 g/mol
单同位素质量: 256.0666355

COMPUTED

结构计算性质

等待补全

XLogP: 4.1
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: 17
形式电荷: 0
复杂度: 289

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 16 条

214263-02-21-(2-chloro-4-fluorophenyl)cyclohexanecarboxylic acid1-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxylic acidSCHEMBL986965DTXSID80361464LASDSPQVVMYXNX-UHFFFAOYSA-NMFCD00800629SBB003104AKOS007930223AC-10048ST059615DB-110823(2-chloro-4-fluorophenyl)cyclohexanecarboxylic acid1-(2-chloro-4-fluorophenyl)cyclohexanecarboxylicacid1-(2-chloro-4-fluoro-phenyl)cyclohexanecarboxylic acid1-(2-chloro-4-fluorophenyl)cyclo hexanecarboxylic acid

REACTIONS

参与反应

15 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835475B2

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

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872033B2

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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 (5/10) · 10.1039/C8SC04228D

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uspto-grants-2007_04 · 10.6084/m9.figshare.5104873.v1 · US07199135B2

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uspto-grants-2007_04 · 10.6084/m9.figshare.5104873.v1 · US07199135B2

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uspto-grants-2007_04 · 10.6084/m9.figshare.5104873.v1 · US07199135B2

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