Cas no 79115-30-3 (1,1'-Biphenyl, 3,3'-dibromo-2,2'-dimethoxy-5,5'-dimethyl-)

1,1'-Biphenyl, 3,3'-dibromo-2,2'-dimethoxy-5,5'-dimethyl- structure
79115-30-3 structure
Product Name:1,1'-Biphenyl, 3,3'-dibromo-2,2'-dimethoxy-5,5'-dimethyl-
CAS No:79115-30-3
MF:C16H16Br2O2
MW:400.105043411255
CID:533356
PubChem ID:12745317
Update Time:2025-04-19

1,1'-Biphenyl, 3,3'-dibromo-2,2'-dimethoxy-5,5'-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl, 3,3'-dibromo-2,2'-dimethoxy-5,5'-dimethyl-
    • 1-bromo-3-(3-bromo-2-methoxy-5-methylphenyl)-2-methoxy-5-methylbenzene
    • DTXSID70508725
    • 79115-30-3
    • 3,3'-Dibromo-2,2'-dimethoxy-5,5'-dimethyl-1,1'-biphenyl
    • Inchi: 1S/C16H16Br2O2/c1-9-5-11(15(19-3)13(17)7-9)12-6-10(2)8-14(18)16(12)20-4/h5-8H,1-4H3
    • InChI Key: SNBCRKMIPXFLRD-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C)=CC(=C1OC)C1C=C(C)C=C(C=1OC)Br

Computed Properties

  • Exact Mass: 399.94966g/mol
  • Monoisotopic Mass: 397.95170g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 283
  • 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: 5.6
  • Topological Polar Surface Area: 18.5?2
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