3-Methyl-6-Nitro-3,4-Dihydro-2H-1,3-Benzoxazin-2-One

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Properties Simple | Detailed

Formula C9H8N2O4
IUPAC Name 3-methyl-6-nitro-4h-1,3-benzoxazin-2-one
Molecular Mass 208.171 g·mol−1
Heat of Formation -236.9 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 222.03 Å 3
Surface Area 214.8 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,3-benzoxazin-2-one, 3,4-dihydro-3-methyl-6-nitro-
  • 3,4-dihydro-3-methyl-6-nitro-2h-1,3-benzoxazin-2-one
  • 3,4-dmnb
  • 3-methyl-6-nitro-4h-1,3-benzoxazin-2-one
CAS Number(s)
  • 151480-73-8
InChIKey ZXTGTRLWIRCGBB-UHFFFAOYSA-N
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