Cas no 3229-38-7 (phenyl nitroxide radical)

phenyl nitroxide radical structure
phenyl nitroxide radical structure
Product Name:phenyl nitroxide radical
CAS No:3229-38-7
MF:C6H6NO
MW:108.117941379547
CID:319030
Update Time:2023-11-19

phenyl nitroxide radical Chemical and Physical Properties

Names and Identifiers

    • Nitroxide, phenyl(7CI,8CI,9CI)
    • Anilinooxy
    • Benzene hydronitroxyl radical
    • Phenyl nitroxide
    • Phenylhydronitroxide
    • (Anilinooxy)radical
    • CID 101944454
    • phenyl nitroxide radical
    • Inchi: 1S/C6H6NO/c8-7-6-4-2-1-3-5-6/h1-5,7H
    • InChI Key: XHHUTJLBSUFJML-UHFFFAOYSA-N
    • SMILES: [O]NC1C=CC=CC=1 |^1:0|

Computed Properties

  • Exact Mass: 108.045
  • Monoisotopic Mass: 108.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 59.5
  • 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: 0.8
  • Topological Polar Surface Area: 13
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