HCID1490326

4-Ethyl-2-fluoro-1,1'-biphenyl

4-ethyl-2-fluoro-1-phenylbenzene

C14H13F200.25 g/molCAS 55258-76-9

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IDENTITY

结构与身份

标准SMILES: CCc1ccc(-c2ccccc2)c(F)c1
InChIKey: GEBUSPQBSWYLBN-UHFFFAOYSA-N
分子式: C14H13F
平均分子量: 200.25 g/mol
单同位素质量: 200.10012858

COMPUTED

结构计算性质

已同步

XLogP: 4.9
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 184

ALIASES

名称与别名

共 29 条

4-ethyl-2-fluoro-1,1'-biphenyl55258-76-9G2S8KN8ZB7DTXSID80363423RefChem:1070632DTXCID803144701,1'-Biphenyl, 4-ethyl-2-fluoro-4-ethyl-2-fluoro-1-phenylbenzene4-Ethyl-2-fluorobiphenylC14H13FFlurbiprofen Impurity 4Flurbiprofen Impurity 12FLURBIPROFEN IMPURITY 64-ethyl-2-fluoro-1-phenyl-benzeneFlurbiprofen Impurity G2-fluoro-4-ethylbiphenyl4-Ethyl-2-fluoro-biphenylSCHEMBL457978SCHEMBL3776825SCHEMBL3776828

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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

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uspto-grants-1982_05 · 10.6084/m9.figshare.5104873.v1 · US04329507

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-1987_09 · 10.6084/m9.figshare.5104873.v1 · US04695131

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uspto-grants-1987_09 · 10.6084/m9.figshare.5104873.v1 · US04695131

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