2-(2-{4-[3-(Trifluoromethyl)-3H-Diaziren-3-Yl]Phenyl}Ethoxy)Quinazoline

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Formula C18H13F3N4O
IUPAC Name 2-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethoxy]quinazoline
Molecular Mass 358.317 g·mol−1
Heat of Formation -79.0 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 391.36 Å 3
Surface Area 355.26 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]ethoxy]quinazoline
  • 2-[2-[4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]ethoxy]quinazoline
  • 4-(4-(3-(trifluoromethyl)-3h-diazirin-3-yl)phenethoxy)quinazoline
CAS Number(s)
  • 173219-33-5
InChIKey ARMHXGIFAWMWKP-UHFFFAOYSA-N
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