3-Methyl-Benzotriazin-4-One

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Properties Simple | Detailed

Formula C8H7N3O
IUPAC Name 3-methyl-1,2,3-benzotriazin-4-one
Molecular Mass 161.161 g·mol−1
Heat of Formation 124.7 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 180.88 Å 3
Surface Area 180.99 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,3-benzotriazin-4(3h)-one, 3-methyl-
  • 3-methyl-1,2,3-benzotriazin-4(3h)-one
  • 3-methylbenzotriazin-4-one
  • 3-methylbenzotriazinone
  • 6k-546s
CAS Number(s)
  • 22305-44-8
InChIKey AULPOPGFJIOHMZ-UHFFFAOYSA-N
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