Cas no 75487-14-8 (Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester)

Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester structure
75487-14-8 structure
Product Name:Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester
CAS No:75487-14-8
MF:C8H12Br2O3
MW:315.98708152771
CID:539466
PubChem ID:71403766
Update Time:2025-04-19

Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 3,5-dibromo-4-oxo-, ethyl ester
    • ethyl 3,5-dibromo-4-oxohexanoate
    • 75487-14-8
    • DTXSID90824656
    • Inchi: 1S/C8H12Br2O3/c1-3-13-7(11)4-6(10)8(12)5(2)9/h5-6H,3-4H2,1-2H3
    • InChI Key: BFXPFGKKSZYSMR-UHFFFAOYSA-N
    • SMILES: BrC(C(C(C)Br)=O)CC(=O)OCC

Computed Properties

  • Exact Mass: 315.91327g/mol
  • Monoisotopic Mass: 313.91532g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 43.4?2

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