3-Phenyl-1,2,4-Oxadiazol-5(2H)-One

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Properties Simple | Detailed

Formula C8H6N2O2
IUPAC Name 3-phenyl-2h-1,2,4-oxadiazol-5-one
Molecular Mass 162.145 g·mol−1
Heat of Formation 27.8 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 179.28 Å 3
Surface Area 182.71 Å 2
HOMO Energy -10.41 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-oxadiazol-5(4h)-one, 3-phenyl-
  • 3-phenyl-1,2,4-oxadiazol-5(4h)-one
CAS Number(s)
  • 1456-22-0
InChIKey LMBDRBXGTCUBIH-UHFFFAOYSA-N
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