1-(4,6-Difluoro-1,3,5-Triazin-2-Yl)-2-Methyl-2H-Isoindole

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Properties Simple | Detailed

Formula C12H8F2N4
IUPAC Name 1-(4,6-difluoro-1,3,5-triazin-2-yl)-2-methyl-isoindol-2-ium
Molecular Mass 246.216 g·mol−1
Heat of Formation 93.9 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 267.76 Å 3
Surface Area 249.94 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(4,6-difluoro-1,3,5-triazin-2-yl)-2-methyl-isoindole
  • 1-(4,6-difluoro-1,3,5-triazin-2-yl)-2-methylisoindole
  • 1-(4,6-difluoro-s-triazin-2-yl)-2-methyl-isoindole
InChIKey VNYNAZKKEBJBDB-UHFFFAOYSA-N
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Elements H C N F