3-Ethyl-1-(3-Nitrophenyl)-2,4(1H,3H)-Quinazolinedione

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Properties Simple | Detailed

Formula C16H13N3O4
IUPAC Name 3-ethyl-1-(3-nitrophenyl)quinazoline-2,4-dione
Molecular Mass 311.292 g·mol−1
Heat of Formation -170.3 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 341.45 Å 3
Surface Area 301.89 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-1-(3-nitrophenyl)quinazoline-2,4-quinone
  • 3-ethyl-1-(m-nitrophenyl)-2,4(1h,3h)-quinazolinedione
  • nitraquazona [spanish]
  • nitraquazone
  • nitraquazonum [latin]
  • tvx 2706
CAS Number(s)
  • 56739-21-0
InChIKey GNWCRBFQZDJFTI-UHFFFAOYSA-N
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