2-(4-Oxo-2H-1,3-Benzoxazin-3(4H)-Yl)Ethyl Nitrate

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Properties Simple | Detailed

Formula C10H10N2O5
IUPAC Name 2-(4-oxo-2h-1,3-benzoxazin-3-yl)ethyl nitrate
Molecular Mass 238.197 g·mol−1
Heat of Formation -315.3 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 258.2 Å 3
Surface Area 245.73 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-oxo-2h-1,3-benzoxazin-3-yl)ethyl nitrate
  • 3-(2-(nitrooxy)ethyl)-2h-1,3-benzoxazin-4(3h)-one
  • 4h-1,3-benzoxazin-4-one, 2,3-dihydro-3-(2-(nitrooxy)ethyl)-
  • itf 296
  • itf-296
  • nitric acid 2-(4-keto-2h-1,3-benzoxazin-3-yl)ethyl ester
  • nitric acid 2-(4-oxo-2h-1,3-benzoxazin-3-yl)ethyl ester
  • sinitrodil
CAS Number(s)
  • 143248-63-9
InChIKey POVFCWQCRHXYAB-UHFFFAOYSA-N
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