Chem
J-GLOBAL ID：201407034132189864   Nikkaji number：J3.276.719B

4-(2,2-Difluoro-3-oxocycloheptane-1-ylmethyl)benzoic acid methyl ester

メチル 4-[(2,2-ジフルオロ-3-オキソシクロヘプチル)メチル]ベンゾアート
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： C16H18F2O3
Molecular formula furigana： C16-H18-F2-O3
Molecular weight： 296.314
InChI： InChI=1S/C16H18F2O3/c1-21-15(20)12-8-6-11(7-9-12)10-13-4-2-3-5-14(19)16(13,17)18/h6-9,13H,2-5,10H2,1H3
InChI key： NAVWZBMXTFOLOM-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(CC2CCCCC(=O)C2(F)F)cc1
Systematic name  (3)：
  • 4-(2,2-ジフルオロ-3-オキソシクロヘプタン-1-イルメチル)安息香酸メチル
  • メチル 4-[(2,2-ジフルオロ-3-オキソシクロヘプチル)メチル]ベンゾアート
  • methyl 4-[(2,2-difluoro-3-oxocycloheptyl)methyl]benzoate
Other name (1)：
  • 4-(2,2-Difluoro-3-oxocycloheptane-1-ylmethyl)benzoic acid methyl ester
Thsaurus map：
Thesaurus Map

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