2-(4-Pyridinyl)-1,3-Benzoxazole

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Properties Simple | Detailed

Formula C12H8N2O
IUPAC Name 2-(4-pyridyl)-1,3-benzoxazole
Molecular Mass 196.205 g·mol−1
Heat of Formation 219.1 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 223.9 Å 3
Surface Area 219.96 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-(4-pyridyl)benzoxazole
  • 2-pyridin-4-yl-1,3-benzoxazole
  • benzoxazole, 2-(4-pyridyl)-
  • r.754
CAS Number(s)
  • 2295-47-8
InChIKey NSTYHODPDRPTRO-UHFFFAOYSA-N
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