Cas no 3213-99-8 (1,2,4-Oxadiazole, 5-phenyl-3-(phenylmethyl)-)

1,2,4-Oxadiazole, 5-phenyl-3-(phenylmethyl)- structure
3213-99-8 structure
Product Name:1,2,4-Oxadiazole, 5-phenyl-3-(phenylmethyl)-
CAS No:3213-99-8
MF:C15H12N2O
MW:236.268583297729
CID:1449326
Update Time:2024-08-23

1,2,4-Oxadiazole, 5-phenyl-3-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Oxadiazole, 5-phenyl-3-(phenylmethyl)-
    • Inchi: 1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h1-10H,11H2
    • InChI Key: GZXCYMXIIYLORJ-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC=CC=C2)=NC(CC2=CC=CC=C2)=N1

Computed Properties

  • Exact Mass: 236.09506

Experimental Properties

  • Density: 1.161±0.06 g/cm3(Predicted)
  • Melting Point: 88 °C
  • Boiling Point: 404.5±38.0 °C(Predicted)
  • PSA: 38.92
  • pka: -1.14±0.20(Predicted)
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