Chem
J-GLOBAL ID：201807017759823702   Nikkaji number：J3.714.964K

2-(4-Bromophenethyl)-4-oxo-4,5-dihydrofuran-3-carboxylic acid 2,2,2-trifluoroethyl ester

2-(4-ブロモフェネチル)-4-オキソ-4,5-ジヒドロフラン-3-カルボン酸2,2,2-トリフルオロエチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C15H12BrF3O4
Molecular formula furigana： C15-H12-BR-F3-O4
Molecular weight： 393.156
InChI： InChI=1S/C15H12BrF3O4/c16-10-4-1-9(2-5-10)3-6-12-13(11(20)7-22-12)14(21)23-8-15(17,18)19/h1-2,4-5H,3,6-8H2
InChI key： XRWIAPQLTUVUSH-UHFFFAOYSA-N
SMILES： FC(F)(F)COC(=O)C1=C(CCc2ccc(Br)cc2)OCC1=O
Systematic name  (3)：
  • 2-(4-ブロモフェネチル)-4-オキソ-4,5-ジヒドロフラン-3-カルボン酸2,2,2-トリフルオロエチル
  • 2,2,2-トリフルオロエチル 2-[2-(4-ブロモフェニル)エチル]-4-オキソ-4,5-ジヒドロフラン-3-カルボキシラート
  • 2,2,2-trifluoroethyl 2-[2-(4-bromophenyl)ethyl]-4-oxo-4,5-dihydrofuran-3-carboxylate
Other name (1)：
  • 2-(4-Bromophenethyl)-4-oxo-4,5-dihydrofuran-3-carboxylic acid 2,2,2-trifluoroethyl ester
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