Cas no 115846-95-2 (1,4-Pentadien-3-one, 1,5-bis(4-bromophenyl)-, (1E,4E)-)

1,4-Pentadien-3-one, 1,5-bis(4-bromophenyl)-, (1E,4E)- structure
115846-95-2 structure
Product Name:1,4-Pentadien-3-one, 1,5-bis(4-bromophenyl)-, (1E,4E)-
CAS No:115846-95-2
MF:C17H12Br2O
MW:392.084583282471
CID:1204954
PubChem ID:6278496
Update Time:2025-04-20

1,4-Pentadien-3-one, 1,5-bis(4-bromophenyl)-, (1E,4E)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Pentadien-3-one, 1,5-bis(4-bromophenyl)-, (1E,4E)-
    • 1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
    • AKOS005067692
    • (1E,4E)-1,5-bis(4-bromophenyl)-1,4-pentadien-3-one
    • HS-7466
    • 115846-95-2
    • (1E,4E)-1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
    • 4,4'-dibromo distyryl ketone
    • (1e,4e)-1,5-bis-(4-bromophenyl)penta-1,4-dien-3-one
    • CHEMBL1770713
    • Inchi： 1S/C17H12Br2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
    • InChI Key： WOPPTRDHNGHVRF-YDWXAUTNSA-N
    • SMILES： BrC1C=CC(=CC=1)/C=C/C(/C=C/C1C=CC(=CC=1)Br)=O

Computed Properties

  • Exact Mass: 389.92546
  • Monoisotopic Mass: 389.92549g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 325
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

1,4-Pentadien-3-one, 1,5-bis(4-bromophenyl)-, (1E,4E)- Related Literature

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