Cas no 88757-74-8 (Acetonitrile, [(5,7-dibromo-8-quinolinyl)oxy]-)

Acetonitrile, [(5,7-dibromo-8-quinolinyl)oxy]- structure
88757-74-8 structure
Product Name:Acetonitrile, [(5,7-dibromo-8-quinolinyl)oxy]-
CAS No:88757-74-8
MF:C11H6Br2N2O
MW:341.986140727997
CID:622158
PubChem ID:71320028
Update Time:2025-04-19

Acetonitrile, [(5,7-dibromo-8-quinolinyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • Acetonitrile, [(5,7-dibromo-8-quinolinyl)oxy]-
    • 2-(5,7-dibromoquinolin-8-yl)oxyacetonitrile
    • 88757-74-8
    • 2-((5,7-Dibromoquinolin-8-yl)oxy)acetonitrile
    • DTXSID20750010
    • [(5,7-Dibromoquinolin-8-yl)oxy]acetonitrile
    • Inchi: 1S/C11H6Br2N2O/c12-8-6-9(13)11(16-5-3-14)10-7(8)2-1-4-15-10/h1-2,4,6H,5H2
    • InChI Key: WNUHGCPTSRTWRF-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C2C1=CC=CN=2)OCC#N)Br

Computed Properties

  • Exact Mass: 341.88264g/mol
  • Monoisotopic Mass: 339.88469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 291
  • 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: 3.3
  • Topological Polar Surface Area: 45.9?2
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