Chem
J-GLOBAL ID：200907009965705594
Nikkaji number：J1.946.132G
4-(3,3,3-Trifluoro-1-propynyl)benzoic acid ethyl ester
4-(3,3,3-トリフルオロ-1-プロピニル)安息香酸エチル
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
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
Molecular formula： C12H9F3O2
Molecular formula furigana： C12-H9-F3-O2
Molecular weight： 242.197
InChI：
InChI=1S/C12H9F3O2/c1-2-17-11(16)10-5-3-9(4-6-10)7-8-12(13,14)15/h3-6H,2H2,1H3
InChI key：
CBJSUSSAXSRUCX-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1ccc(cc1)C#CC(F)(F)F
Systematic name (3)：
- 4-(3,3,3-トリフルオロ-1-プロピニル)安息香酸エチル
- エチル 4-(3,3,3-トリフルオロプロパ-1-イン-1-イル)ベンゾアート
- ethyl 4-(3,3,3-trifluoroprop-1-yn-1-yl)benzoate
- 4-(3,3,3-Trifluoro-1-propynyl)benzoic acid ethyl ester
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