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Properties Simple | Detailed

Formula C14H13F3N3O5
IUPAC Name (6s)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine
Molecular Mass 360.265 g·mol−1
Heat of Formation -857.3 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 366.39 Å 3
Surface Area 337.96 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-2-nitro-6-[4-(trifluoromethoxy)benzyl]oxy-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine
  • 5h-imidazo(2,1-b)(1,3)oxazine, 6,7-dihydro-2-nitro-6-((4-(trifluoromethoxy)phenyl)methoxy)-, (6s)-
  • pa 824
  • pa-824
  • pa824
  • {4-[((3s)-6-nitro(2h,3h,4h-imidazolo[2,1-b]1,3-oxazaperhydroin-3-yloxy))methyl]phenoxy}trifluoromethane
CAS Number(s)
  • 187235-37-6
InChIKey ZLHZLMOSPGACSZ-NSHDSACASA-N
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