Cas no 848950-07-2 ([3,5-Bis(4-methylphenyl)phenyl]boronic acid)

[3,5-Bis(4-methylphenyl)phenyl]boronic acid structure
848950-07-2 structure
Product Name:[3,5-Bis(4-methylphenyl)phenyl]boronic acid
CAS No:848950-07-2
MF:C20H19BO2
MW:302.174665689468
CID:2806237
PubChem ID:71406682
Update Time:2025-04-21

[3,5-Bis(4-methylphenyl)phenyl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • DTXSID70827281
    • 848950-07-2
    • (1~4~,3~4~-Dimethyl[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~-yl)boronic acid
    • [3,5-Bis(4-methylphenyl)phenyl]boronic acid
    • Inchi: 1S/C20H19BO2/c1-14-3-7-16(8-4-14)18-11-19(13-20(12-18)21(22)23)17-9-5-15(2)6-10-17/h3-13,22-23H,1-2H3
    • InChI Key: FCZQEZNIZREUGW-UHFFFAOYSA-N
    • SMILES: OB(C1C=C(C2C=CC(C)=CC=2)C=C(C=1)C1C=CC(C)=CC=1)O

Computed Properties

  • Exact Mass: 302.1478100Da
  • Monoisotopic Mass: 302.1478100Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 327
  • 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
  • Topological Polar Surface Area: 40.5?2
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