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

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Properties Simple | Detailed

Formula C9H5N3O3
IUPAC Name 5-(1,3-benzoxazol-2-yl)-3h-1,3,4-oxadiazol-2-one
Molecular Mass 203.154 g·mol−1
Heat of Formation -29.4 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 208.86 Å 3
Surface Area 210.32 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,4-oxadiazol-2(3h)-one, 5-(2-benzoxazolyl)-
  • rhc 3024
  • rhc-3024
CAS Number(s)
  • 78620-37-8
InChIKey KCFSRHSTNVJSJD-UHFFFAOYSA-N
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