Cas no 88709-79-9 (Ethanedione, (4-fluorophenyl)-3-pyridinyl-)

Ethanedione, (4-fluorophenyl)-3-pyridinyl- structure
88709-79-9 structure
Product Name:Ethanedione, (4-fluorophenyl)-3-pyridinyl-
CAS No:88709-79-9
MF:C13H8FNO2
MW:229.206526756287
CID:623713
PubChem ID:14849884
Update Time:2025-04-19

Ethanedione, (4-fluorophenyl)-3-pyridinyl- Chemical and Physical Properties

Names and Identifiers

    • Ethanedione, (4-fluorophenyl)-3-pyridinyl-
    • 1-(4-fluorophenyl)-2-pyridin-3-ylethane-1,2-dione
    • SCHEMBL10841082
    • 1-(4-Fluorophenyl)-2-(pyridin-3-yl)ethane-1,2-dione
    • DTXSID20564699
    • 88709-79-9
    • Inchi: 1S/C13H8FNO2/c14-11-5-3-9(4-6-11)12(16)13(17)10-2-1-7-15-8-10/h1-8H
    • InChI Key: AMLTWDVGKYYPHA-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C(C(C1C=NC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 229.05390666g/mol
  • Monoisotopic Mass: 229.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 47?2
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