Cas no 223671-17-8 (5-bromo-2-oxido-isoquinolin-2-ium)

5-bromo-2-oxido-isoquinolin-2-ium structure
223671-17-8 structure
Product Name:5-bromo-2-oxido-isoquinolin-2-ium
CAS No:223671-17-8
MF:C9H6BrNO
MW:224.054041385651
MDL:MFCD19981743
CID:4459853
PubChem ID:22665708
Update Time:2025-04-24

5-bromo-2-oxido-isoquinolin-2-ium Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 5-bromo-, 2-oxide
    • 5-Bromo-2-isoquinolin-2-one
    • 5-bromo-2-oxido-isoquinolin-2-ium
    • 5-bromoisoquinoline-N-oxide
    • MFCD19981743
    • AKOS037645406
    • E-isoquinolin-2-one
    • SCHEMBL248055
    • P12682
    • 5-bromo-2-oxidoisoquinolin-2-ium
    • SY333190
    • AS-60669
    • 5-bromoisoquinoline 2-oxide
    • 223671-17-8
    • 5-Bromoisoquinoline N-oxide
    • 5-BROMOISOQUINOLIN-2-IUM-2-OLATE
    • YIA67117
    • 5-Bromo-isoquinoline N-oxide
    • ZMMWTYNVRSUXFF-UHFFFAOYSA-N
    • 5-bromo-2
    • 5-bromoisoquinoline-2-oxide
    • MDL: MFCD19981743
    • Inchi: 1S/C9H6BrNO/c10-9-3-1-2-7-6-11(12)5-4-8(7)9/h1-6H
    • InChI Key: ZMMWTYNVRSUXFF-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC2C=[N+](C=CC=21)[O-]

Computed Properties

  • Exact Mass: 222.96328g/mol
  • Monoisotopic Mass: 222.96328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 165
  • 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: 1.8
  • Topological Polar Surface Area: 25.5?2

5-bromo-2-oxido-isoquinolin-2-ium Pricemore >>

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