Cas no 816421-98-4 (Boronic acid, [4'-(1-naphthalenylphenylamino)[1,1'-biphenyl]-4-yl]-)

Boronic acid, [4'-(1-naphthalenylphenylamino)[1,1'-biphenyl]-4-yl]- structure
816421-98-4 structure
Product Name:Boronic acid, [4'-(1-naphthalenylphenylamino)[1,1'-biphenyl]-4-yl]-
CAS No:816421-98-4
MF:C28H22BNO2
MW:415.290787220001
CID:703576
PubChem ID:60132556
Update Time:2025-04-19

Boronic acid, [4'-(1-naphthalenylphenylamino)[1,1'-biphenyl]-4-yl]- Chemical and Physical Properties

Names and Identifiers

    • Boronic acid, [4'-(1-naphthalenylphenylamino)[1,1'-biphenyl]-4-yl]-
    • [4-[4-[(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)amino]phenyl]phenyl]boronic acid
    • starbld0019259
    • (4'-(Naphthalen-1-yl(phenyl)amino)-[1,1'-biphenyl]-4-yl)boronic acid
    • {4'-[(naphthalen-1-yl)(phenyl)amino]-[1,1'-biphenyl]-4-yl}boronic acid
    • 816421-98-4
    • Inchi: 1S/C28H22BNO2/c31-29(32)24-17-13-21(14-18-24)22-15-19-26(20-16-22)30(25-9-2-1-3-10-25)28-12-6-8-23-7-4-5-11-27(23)28/h1-20,31-32H
    • InChI Key: CYAUPJWMYZBZEQ-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC(=CC=1)C1C=CC(=CC=1)N(C1C=CC=CC=1)C1=CC=CC2C=CC=CC1=2)O

Computed Properties

  • Exact Mass: 415.1743591g/mol
  • Monoisotopic Mass: 415.1743591g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 5
  • Complexity: 564
  • 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: 43.7?2
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