Cas no 91261-00-6 (Phenol, 2,4-dibromo-6-[(3,5-dibromo-4-hydroxyphenyl)methyl]-)

Phenol, 2,4-dibromo-6-[(3,5-dibromo-4-hydroxyphenyl)methyl]- structure
91261-00-6 structure
Product Name:Phenol, 2,4-dibromo-6-[(3,5-dibromo-4-hydroxyphenyl)methyl]-
CAS No:91261-00-6
MF:C13H8Br4O2
MW:515.817420959473
CID:749332
PubChem ID:71328098
Update Time:2025-04-19

Phenol, 2,4-dibromo-6-[(3,5-dibromo-4-hydroxyphenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2,4-dibromo-6-[(3,5-dibromo-4-hydroxyphenyl)methyl]-
    • 2,6-dibromo-4-[(3,5-dibromo-2-hydroxyphenyl)methyl]phenol
    • 2,4-Dibromo-6-[(3,5-dibromo-4-hydroxyphenyl)methyl]phenol
    • DTXSID20757089
    • 91261-00-6
    • Inchi: 1S/C13H8Br4O2/c14-8-4-7(12(18)11(17)5-8)1-6-2-9(15)13(19)10(16)3-6/h2-5,18-19H,1H2
    • InChI Key: KQYHUMOZWUBEPG-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=CC(=C1O)CC1C=C(C(=C(C=1)Br)O)Br)Br

Computed Properties

  • Exact Mass: 515.72168g/mol
  • Monoisotopic Mass: 511.72578g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 292
  • 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: 5.9
  • Topological Polar Surface Area: 40.5?2
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