2,1-Benzoxazole

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Properties Simple | Detailed

Formula C7H5NO
IUPAC Name 2,1-benzoxazole
Molecular Mass 119.121 g·mol−1
Heat of Formation 203.8 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 137.82 Å 3
Surface Area 144.53 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,1-benzisoxazole
  • 2,1-benzisoxazole (8ci)(9ci)
  • anthranil
  • benz(c)isoxazole
CAS Number(s)
  • 271-58-9
InChIKey FZKCAHQKNJXICB-UHFFFAOYSA-N
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