1-(1,3,5-Trinitro-1H-Pyrrol-2-Yl)Ethanone

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Properties Simple | Detailed

Formula C6H4N4O7
IUPAC Name 1-(1,3,5-trinitropyrrol-2-yl)ethanone
Molecular Mass 244.119 g·mol−1
Heat of Formation 35.0 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 234.14 Å 3
Surface Area 219.77 Å 2
HOMO Energy -11.30 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-trinitro-2-acetylpyrrole
  • 1-(1,3,5-trinitro-2-pyrrolyl)ethanone
  • 1-(1,3,5-trinitropyrrol-2-yl)ethanone
CAS Number(s)
  • 158366-46-2
InChIKey BXUXAZWQNLUDSN-UHFFFAOYSA-N
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