2-[(1Z)-1,3-Dimethoxy-3-Oxo-1-Propen-2-Yl]Phenyl 4-[3-(Trifluoromethyl)-3H-Diaziren-3-Yl]Benzoate

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Properties Simple | Detailed

Formula C20H15F3N2O5
IUPAC Name [2-[(z)-2-methoxy-1-methoxycarbonyl-vinyl]phenyl] 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate
Molecular Mass 420.339 g·mol−1
Heat of Formation -819.8 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 458.15 Å 3
Surface Area 391.25 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid [2-[(z)-2-methoxy-1-methoxycarbonylvinyl]phenyl] ester
  • 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid [2-[(z)-1-carbomethoxy-2-methoxy-vinyl]phenyl] ester
  • [2-[(z)-1,3-dimethoxy-3-oxo-prop-1-en-2-yl]phenyl] 4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate
  • [2-[(z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenyl] 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate
  • [2-[(z)-2-methoxy-1-methoxycarbonyl-vinyl]phenyl] 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate
  • methyl 3-methoxy-2-(4-(3-trifluoro-3-diazirinyl)benzoyloxyphenyl)propenoate
  • mmtdbp
CAS Number(s)
  • 125808-18-6
InChIKey WSKBWXICMOMARL-PTNGSMBKSA-N
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