HCID9458

Triflusal

2-acetyloxy-4-(trifluoromethyl)benzoic acid

C10H7F3O4248.15 g/molCAS 322-79-2

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IDENTITY

结构与身份

标准SMILES: CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O
InChIKey: RMWVZGDJPAKBDE-UHFFFAOYSA-N
分子式: C10H7F3O4
平均分子量: 248.15 g/mol
单同位素质量: 248.02964319

COMPUTED

结构计算性质

等待补全

XLogP: 2.1
极性表面积: 63.6 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 313

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 101 条

Triflusal322-79-22-Acetoxy-4-trifluoromethylbenzoic acid2-(Acetyloxy)-4-(trifluoromethyl)benzoic acidTriflusalumDTXSID80453051Z0YFI05OODTXCID6025305RefChem:191611B01AC18206-297-5Disgren2-Acetoxy-4-(trifluoromethyl)benzoic Acid2-acetyloxy-4-(trifluoromethyl)benzoic acidTriflusal [INN]C10H7F3O4MFCD00866793Benzoic acid, 2-(acetyloxy)-4-(trifluoromethyl)-alpha,alpha,alpha-Trifluoro-2,4-cresotic acid acetateTriflusal (INN)

REACTIONS

参与反应

2 条

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

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08551999B2

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