(S)-6-(2,4-Difluoro-Benzyloxy)-2-Nitro-6,7-Dihydro-5H-Imidazo(2,1-B)(1,3)Oxazine

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Properties Simple | Detailed

Formula C13H11F2N3O4
IUPAC Name (6s)-6-[(2,4-difluorophenyl)methoxy]-2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine
Molecular Mass 311.241 g·mol−1
Heat of Formation -413.6 ± 16.7 kJ·mol−1
Dipole Moment 10.71 ± 1.08 D
Volume 325.83 Å 3
Surface Area 299.91 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-6-(2,4-difluorobenzyl)oxy-2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine
  • (s)-6-(2,4-difluoro-benzyloxy)-2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine
  • pa-654
CAS Number(s)
  • 187235-32-1
InChIKey WOZZMKNJHPMKLM-JTQLQIEISA-N
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