8-Bromo-4H-[1,2,4]Oxadiazolo[3,4-C][1,4]Benzoxazin-1-One

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Properties Simple | Detailed

Formula C9H5BrN2O3
IUPAC Name 8-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
Molecular Mass 269.052 g·mol−1
Heat of Formation -98.6 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 226.96 Å 3
Surface Area 216.65 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-8-bromo-1,2,4-oxadiazolo(3,4-d)benz(b)(1,4)oxazin-1-one
  • 4h-8-bromo-1,2,4-oxadiazolo[3,4-d]benz[b][1,4]oxazin-1-one
  • 8-bromo-1h,4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
  • ns 2028
InChIKey MUDRLQRJCGJJTB-UHFFFAOYSA-N
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Elements H C O Br N