Cas no 648896-54-2 (8-Quinolinol, 7-bromo-5-(3,5-difluorophenyl)-)

8-Quinolinol, 7-bromo-5-(3,5-difluorophenyl)- structure
648896-54-2 structure
Product Name:8-Quinolinol, 7-bromo-5-(3,5-difluorophenyl)-
CAS No:648896-54-2
MF:C15H8BrF2NO
MW:336.130929946899
CID:413205
PubChem ID:57939269
Update Time:2025-04-19

8-Quinolinol, 7-bromo-5-(3,5-difluorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 8-Quinolinol, 7-bromo-5-(3,5-difluorophenyl)-
    • 7-bromo-5-(3,5-difluorophenyl)quinolin-8-ol
    • 648896-54-2
    • DTXSID60728354
    • SCHEMBL8344547
    • Inchi: 1S/C15H8BrF2NO/c16-13-7-12(8-4-9(17)6-10(18)5-8)11-2-1-3-19-14(11)15(13)20/h1-7,20H
    • InChI Key: GLUPGXJEEKNGDU-UHFFFAOYSA-N
    • SMILES: BrC1=C(C2C(=CC=CN=2)C(=C1)C1C=C(C=C(C=1)F)F)O

Computed Properties

  • Exact Mass: 334.97574
  • Monoisotopic Mass: 334.97573g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 336
  • 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: 4.4
  • Topological Polar Surface Area: 33.1?2

Experimental Properties

  • PSA: 33.12
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