1-(4-Methylphenyl)-1H-1,2,3-Triazole-4-Carbaldehyde

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Properties Simple | Detailed

Formula C10H9N3O
IUPAC Name 1-(p-tolyl)-3-aza-1-azonia-2-azanidacyclopenta-3,5-diene-4-carbaldehyde
Molecular Mass 187.198 g·mol−1
Heat of Formation 236.4 ± 16.7 kJ·mol−1
Dipole Moment 8.44 ± 1.08 D
Volume 220.97 Å 3
Surface Area 219.9 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-methylphenyl)-1,2,3-triazole-4-carbaldehyde
  • 1-(4-methylphenyl)-4-triazolecarboxaldehyde
  • 1-(4-methylphenyl)triazole-4-carbaldehyde
  • 1h-1,2,3-triazole-4-carboxaldehyde, 1-(4-methylphenyl)-
InChIKey QADMLFUJSLSFBQ-UHFFFAOYSA-N
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