Cas no 35445-38-6 (3-Bromocinnolin-4-amine)

3-Bromocinnolin-4-amine structure
3-Bromocinnolin-4-amine structure
Product Name:3-Bromocinnolin-4-amine
CAS No:35445-38-6
MF:C8H6BrN3
MW:224.057340145111
CID:5717115
PubChem ID:5164418
Update Time:2023-10-15

3-Bromocinnolin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 3-bromocinnolin-4-amine
    • 35445-38-6
    • 3-Bromocinnolin-4-amine
    • Inchi: 1S/C8H6BrN3/c9-8-7(10)5-3-1-2-4-6(5)11-12-8/h1-4H,(H2,10,11)
    • InChI Key: HXBNCLQEWIJLCW-UHFFFAOYSA-N
    • SMILES: BrC1=C(C2C=CC=CC=2N=N1)N

Computed Properties

  • Exact Mass: 222.97451g/mol
  • Monoisotopic Mass: 222.97451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 164
  • 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: 1.5
  • Topological Polar Surface Area: 51.8?2
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