2-Bromo-1-(4-Hydroxy-3,5-Dinitrophenyl)Ethanone

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Properties Simple | Detailed

Formula C8H5BrN2O6
IUPAC Name 2-bromo-1-(4-hydroxy-3,5-dinitro-phenyl)ethanone
Molecular Mass 305.039 g·mol−1
Heat of Formation -250.7 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 257.14 Å 3
Surface Area 242.65 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry Cs
Synonyms
  • alpha-bromo-4-hydroxy-3,5-dinitroacetophenone
  • ethanone, 2-bromo-1-(4-hydroxy-3,5-dinitrophenyl)-
  • killer iii
  • killer-iii
CAS Number(s)
  • 120388-18-3
InChIKey UJNFNGVYNQTWEZ-UHFFFAOYSA-N
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Elements H C O Br N