Cas no 919293-20-2 (Benz[h]isoquinoline-6-carboxylic acid, 9-bromo-)

Benz[h]isoquinoline-6-carboxylic acid, 9-bromo- structure
919293-20-2 structure
Product Name:Benz[h]isoquinoline-6-carboxylic acid, 9-bromo-
CAS No:919293-20-2
MF:C14H8BrNO2
MW:302.122822761536
CID:764569
PubChem ID:57455584
Update Time:2025-04-19

Benz[h]isoquinoline-6-carboxylic acid, 9-bromo- Chemical and Physical Properties

Names and Identifiers

    • Benz[h]isoquinoline-6-carboxylic acid, 9-bromo-
    • 9-bromobenzo[h]isoquinoline-6-carboxylic acid
    • SCHEMBL4302560
    • 919293-20-2
    • DTXSID50726627
    • Inchi: 1S/C14H8BrNO2/c15-9-1-2-10-11(6-9)13-7-16-4-3-8(13)5-12(10)14(17)18/h1-7H,(H,17,18)
    • InChI Key: MOLGSFBBASBZLE-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C(=O)O)C=C3C=CN=CC3=C2C=1

Computed Properties

  • Exact Mass: 300.97384g/mol
  • Monoisotopic Mass: 300.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • 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: 3.6
  • Topological Polar Surface Area: 50.2?2
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