Cas no 887267-53-0 (Ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate)

Ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate structure
887267-53-0 structure
Product Name:Ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate
CAS No:887267-53-0
MF:C11H10F2O3
MW:228.192110538483
MDL:MFCD07783808
CID:712956
Update Time:2023-11-22

Ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate
    • Benzenepropanoic acid,2,5-difluoro-b-oxo-,ethyl ester
    • 2,5-Difluoro-beta-Oxo-Benzenepropanoic Acid Ethyl Ester
    • ETHYL 2,5-DIFLUOROBENZOYLACETATE
    • AK111399
    • 3-(2,5-Difluoro-phenyl)-3-oxo-propionic acid ethyl ester
    • SBB064543
    • 4567AC
    • AX8128087
    • Ethyl 3-(2,5-Difluorophenyl)-3-oxopropionate
    • Ethyl 2,5-difluoro-β-oxobenzenepropanoate (ACI)
    • Ethyl 2-(2,5-difluorobenzoyl)acetate
    • MDL： MFCD07783808
    • Inchi： 1S/C11H10F2O3/c1-2-16-11(15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5H,2,6H2,1H3
    • InChI Key： FLBIFWLBLQKDAE-UHFFFAOYSA-N
    • SMILES： O=C(CC(C1C(F)=CC=C(F)C=1)=O)OCC

Computed Properties

  • Exact Mass: 228.06000
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 268
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.2
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • Boiling Point: 275.7℃ at 760 mmHg
  • PSA: 43.37000
  • LogP: 2.10070

Ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate Pricemore >>

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