Chem
J-GLOBAL ID：200907003069844145   Nikkaji number：J2.721.084H

4-(Trifluoromethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzoic acid methyl ester

4-(トリフルオロメチル)-2-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)安息香酸メチル
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： C15H18BF3O4
Molecular formula furigana： C15-H18-B-F3-O4
Molecular weight： 330.110
InChI： InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)11-8-9(15(17,18)19)6-7-10(11)12(20)21-5/h6-8H,1-5H3
InChI key： CVRQTSNFZDWYNW-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F
Systematic name  (3)：
  • 4-(トリフルオロメチル)-2-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)安息香酸メチル
  • メチル 2-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-4-(トリフルオロメチル)ベンゾアート
  • methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoate
Other name (1)：
  • 4-(Trifluoromethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzoic acid methyl ester
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