1,2-Dihydro-4H-Benzotriazol-4-One

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Properties Simple | Detailed

Formula C6H5N3O
IUPAC Name benzotriazole-1,2-diium-4-one
Molecular Mass 135.123 g·mol−1
Heat of Formation 256.0 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 149.09 Å 3
Surface Area 154.28 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydrobenzotriazol-4-one
  • 4-hydroxy-1h-benzotriazole
InChIKey NPZTUJOABDZTLV-UHFFFAOYSA-N
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