2-(4-Nitro-Phenyl)-Benzooxazole

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Properties Simple | Detailed

Formula C13H8N2O3
IUPAC Name 2-(4-nitrophenyl)-1,3-benzoxazole
Molecular Mass 240.214 g·mol−1
Heat of Formation 2233.0 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 249.62 Å 3
Surface Area 241.51 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-(4-nitro-phenyl)-benzooxazole
  • 2-(4-nitrophenyl)-1,3-benzoxazole
  • 2-(4-nitrophenyl)benzoxazole
  • bas 00119028
  • benzoxazole, 2-(4-nitrophenyl)-
  • benzoxazole, 2-(p-nitrophenyl)- (8ci)
  • nci60_036569
  • nsc702048
  • oprea1_482358
  • oprea1_641073
  • r 673
  • zinc00289566
CAS Number(s)
  • 840-58-4
InChIKey KLOXEYMSPNBMHD-UHFFFAOYSA-N
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