Cas no 95918-94-8 (1,1':4',1''-Terphenyl, 3,3''-dibromo-)

1,1':4',1''-Terphenyl, 3,3''-dibromo- structure
95918-94-8 structure
Product Name:1,1':4',1''-Terphenyl, 3,3''-dibromo-
CAS No:95918-94-8
MF:C18H12Br2
MW:388.095883369446
CID:751630
PubChem ID:11101137
Update Time:2025-04-19

1,1':4',1''-Terphenyl, 3,3''-dibromo- Chemical and Physical Properties

Names and Identifiers

    • 1,1':4',1''-Terphenyl, 3,3''-dibromo-
    • 1,4-bis(3-bromophenyl)benzene
    • 3,3''-DIBROMO-P-TERPHENYL
    • 95918-94-8
    • SCHEMBL13682551
    • DTXSID80455236
    • Inchi: 1S/C18H12Br2/c19-17-5-1-3-15(11-17)13-7-9-14(10-8-13)16-4-2-6-18(20)12-16/h1-12H
    • InChI Key: QETQWEGTVSXLGL-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C1C=CC(=CC=1)C1C=CC=C(C=1)Br

Computed Properties

  • Exact Mass: 387.92853g/mol
  • Monoisotopic Mass: 385.93058g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 266
  • 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: 6.6
  • Topological Polar Surface Area: 0?2
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