Cas no 77199-12-3 (Quinolizinium, 3-bromo-, bromide)

Quinolizinium, 3-bromo-, bromide structure
77199-12-3 structure
Product Name:Quinolizinium, 3-bromo-, bromide
CAS No:77199-12-3
MF:C9H7Br2N
MW:288.966580629349
CID:530578
PubChem ID:11346772
Update Time:2025-04-19

Quinolizinium, 3-bromo-, bromide Chemical and Physical Properties

Names and Identifiers

    • Quinolizinium, 3-bromo-, bromide
    • 3-bromoquinolizin-5-ium,bromide
    • 3-Bromoquinolizinium bromide
    • FT-0711063
    • 77199-12-3
    • DTXSID70463128
    • 3-bromoquinolizin-5-ium;bromide
    • Inchi: 1S/C9H7BrN.BrH/c10-8-4-5-9-3-1-2-6-11(9)7-8;/h1-7H;1H/q+1;/p-1
    • InChI Key: CPMSZOBMUXGFPW-UHFFFAOYSA-M
    • SMILES: BrC1=CC=C2C=CC=C[N+]2=C1.[Br-]

Computed Properties

  • Exact Mass: 286.89500
  • Monoisotopic Mass: 286.89452g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 138
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 4.1?2

Experimental Properties

  • Melting Point: 259-261 oC (ethanol ethyl acetate )
  • PSA: 4.10000
  • LogP: -0.80820

Quinolizinium, 3-bromo-, bromide Related Literature

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