5-[1-(2,4-Difluorophenyl)-5-Methyl-1H-1,2,3-Triazol-4-Yl]-2-Isopropyl-1-Isoindolinone

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Properties Simple | Detailed

Formula C20H18F2N4O
IUPAC Name 5-[1-(2,4-difluorophenyl)-5-methyl-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-4-yl]-2-isopropyl-isoindolin-1-one
Molecular Mass 368.380 g·mol−1
Heat of Formation -126.1 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 425.14 Å 3
Surface Area 375.1 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[1-(2,4-difluorophenyl)-5-methyl-1,2,3-triazol-4-yl]-2-propan-2-yl-3h-isoindol-1-one
  • 5-[1-(2,4-difluorophenyl)-5-methyl-4-triazolyl]-2-isopropyl-1-isoindolinone
  • 5-[1-(2,4-difluorophenyl)-5-methyl-triazol-4-yl]-2-isopropyl-isoindolin-1-one
  • 5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3h-isoindol-1-one
InChIKey KKZVYGIANGOHBS-UHFFFAOYSA-N
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