Flucarbazone

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Properties Simple | Detailed

Formula C12H11F3N4O6S
IUPAC Name 3-methoxy-4-methyl-5-oxo-n-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboxamide
Molecular Mass 396.299 g·mol−1
Heat of Formation -1371.3 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 381.15 Å 3
Surface Area 318.93 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-n-((2-(trifluoromethoxy)phenyl)sulfonyl)-
  • 3-methoxy-4-methyl-5-oxo-n-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboxamide
  • 5-keto-3-methoxy-4-methyl-n-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboxamide
  • flucarbazone [iso:bsi]
CAS Number(s)
  • 145026-88-6
InChIKey GINFBXXYGUODAT-UHFFFAOYSA-N
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