HCID10592111

Ethyl 3-bromo-2,4,5-trifluorobenzoylacetate

ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate

C11H8BrF3O3325.08 g/molCAS 104222-46-0

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CC(=O)c1cc(F)c(F)c(Br)c1F
InChIKey: SWZVGWDMALRZMD-UHFFFAOYSA-N
分子式: C11H8BrF3O3
平均分子量: 325.08 g/mol
单同位素质量: 323.96089

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 5
重原子: 18
形式电荷: 0
复杂度: 327

ALIASES

名称与别名

共 10 条

104222-46-0ETHYL 3-BROMO-2,4,5-TRIFLUOROBENZOYLACETATEethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoateSCHEMBL2915243DTXSID30442252SWZVGWDMALRZMD-UHFFFAOYSA-NEthyl 3-(3-bromo-2,4,5-trifluoro-phenyl)-3-oxo-propanoateMFCD12965122AKOS015914608CS-0440156

REACTIONS