Cas no 88217-21-4 (Ethanone, 1-(3,5-dibromo-2,6-dihydroxy-4-methoxyphenyl)-)

Ethanone, 1-(3,5-dibromo-2,6-dihydroxy-4-methoxyphenyl)- structure
88217-21-4 structure
Product Name:Ethanone, 1-(3,5-dibromo-2,6-dihydroxy-4-methoxyphenyl)-
CAS No:88217-21-4
MF:C9H8Br2O4
MW:339.965421676636
CID:641022
PubChem ID:71409974
Update Time:2025-04-19

Ethanone, 1-(3,5-dibromo-2,6-dihydroxy-4-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-(3,5-dibromo-2,6-dihydroxy-4-methoxyphenyl)-
    • 1-(3,5-dibromo-2,6-dihydroxy-4-methoxyphenyl)ethanone
    • 88217-21-4
    • 1-(3,5-Dibromo-2,6-dihydroxy-4-methoxyphenyl)ethan-1-one
    • DTXSID00829677
    • Inchi: 1S/C9H8Br2O4/c1-3(12)4-7(13)5(10)9(15-2)6(11)8(4)14/h13-14H,1-2H3
    • InChI Key: VIOQJTBEPYOHOY-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C(=C(C(C)=O)C=1O)O)Br)OC

Computed Properties

  • Exact Mass: 339.87688g/mol
  • Monoisotopic Mass: 337.87893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 2.8
  • Topological Polar Surface Area: 66.8?2
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