Cas no 61578-13-0 (Pyrazine, 2,3-diphenyl-, 1-oxide)

Pyrazine, 2,3-diphenyl-, 1-oxide structure
61578-13-0 structure
Product Name:Pyrazine, 2,3-diphenyl-, 1-oxide
CAS No:61578-13-0
MF:C16H12N2O
MW:248.27928352356
CID:474165
PubChem ID:12342725
Update Time:2025-04-19

Pyrazine, 2,3-diphenyl-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Pyrazine, 2,3-diphenyl-, 1-oxide
    • 1-oxido-2,3-diphenylpyrazin-1-ium
    • DTXSID90492253
    • 61578-13-0
    • 1-Oxo-2,3-diphenyl-1lambda~5~-pyrazine
    • Inchi: 1S/C16H12N2O/c19-18-12-11-17-15(13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-12H
    • InChI Key: JCYPEUTXZNHTSE-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C=CN=C(C2C=CC=CC=2)C=1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 248.09506
  • Monoisotopic Mass: 248.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 272
  • 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: 2.1
  • Topological Polar Surface Area: 38.4?2

Experimental Properties

  • PSA: 39.83
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