HCID721837

5-(3-(Trifluoromethyl)phenyl)furfural

5-[3-(trifluoromethyl)phenyl]furan-2-carbaldehyde

C12H7F3O2240.18 g/molCAS 52130-30-0

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IDENTITY

结构与身份

标准SMILES: O=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIKey: MRVWKXZQBOFMAW-UHFFFAOYSA-N
分子式: C12H7F3O2
平均分子量: 240.18 g/mol
单同位素质量: 240.03981395

COMPUTED

结构计算性质

等待补全

XLogP: 3.3
极性表面积: 30.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 277

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 36 条

5-[3-(Trifluoromethyl)phenyl]furfural5-(3-(Trifluoromethyl)phenyl)furfuralRefChem:529751624-236-452130-30-05-[3-(trifluoromethyl)phenyl]-2-furaldehyde5-[3-(trifluoromethyl)phenyl]furan-2-carbaldehyde5-(3-(trifluoromethyl)phenyl)furan-2-carbaldehydeMFCD002742415-(3-trifluoromethyl-phenyl)-furan-2-carbaldehyde2-Furancarboxaldehyde, 5-[3-(trifluoromethyl)phenyl]-5-(3-trifluoromethylphenyl)furan-2-carboxaldehyde5-[3-(Trifluoromethyl)phenyl]furan-2-carboxaldehydeorb3022548SCHEMBL1199113SCHEMBL2323764CHEMBL4444798DTXSID80352256TPL0524ALBB-024942

REACTIONS

相关反应

10 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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Imidazopyridines dataset

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

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uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08461348B2

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uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08461348B2

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

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426540B2

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