Cas no 26537-61-1 (1,2,3-Oxadiazolium,3-(4-bromophenyl)-5-hydroxy-, inner salt)

1,2,3-Oxadiazolium,3-(4-bromophenyl)-5-hydroxy-, inner salt structure
26537-61-1 structure
Product Name:1,2,3-Oxadiazolium,3-(4-bromophenyl)-5-hydroxy-, inner salt
CAS No:26537-61-1
MF:C8H5BrN2O2
MW:241.041500806808
CID:259288
PubChem ID:602846
Update Time:2025-04-19

1,2,3-Oxadiazolium,3-(4-bromophenyl)-5-hydroxy-, inner salt Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Oxadiazolium,3-(4-bromophenyl)-5-hydroxy-, inner salt
    • 3-(4-bromophenyl)oxadiazol-3-ium-5-olate
    • 3-<4-Brom-phenyl>-sydnon
    • 4-bromophenyl sydnone
    • N-<p-Brom-phenyl>-sydnon
    • N-(p-bromophenyl)sydnone
    • Sydnone, 3-(p-bromophenyl)-
    • A919871
    • 3-(4-bromophenyl)-3H-1??,2,3-oxadiazol-1-ylium-5-olate
    • NSC-63253
    • F50873
    • 26537-61-1
    • 3-(p-Bromophenyl)sydnone
    • Sydnone, 3-(4-bromophenyl)-
    • DTXSID30345234
    • SCHEMBL10949647
    • RS-2192
    • 3-(4-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate
    • NSC63253
    • Inchi: 1S/C8H5BrN2O2/c9-6-1-3-7(4-2-6)11-5-8(12)13-10-11/h1-5H
    • InChI Key: SGLURXDGBWADBP-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)[N+]1C=C([O-])ON=1

Computed Properties

  • Exact Mass: 239.95300
  • Monoisotopic Mass: 239.953
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 3.5
  • Topological Polar Surface Area: 53?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 52.97000
  • LogP: 1.85760

1,2,3-Oxadiazolium,3-(4-bromophenyl)-5-hydroxy-, inner salt Pricemore >>

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