1-Benzyl-1,2-Dihydro-3H-Indazol-3-One

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Properties Simple | Detailed

Formula C14H12N2O
IUPAC Name 1-benzylindazole-1,2-diium-3-one
Molecular Mass 224.258 g·mol−1
Heat of Formation 177.3 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 269.53 Å 3
Surface Area 251.3 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)indazolin-3-one
  • 1-(phenylmethyl)-2h-indazol-3-one
  • 1-benzyl-1,2-dihydro-indazol-3-one
  • 1-benzyl-1h-indazol-3-ol
  • 1h-indazol-3-ol, 1-benzyl-
  • 3h-indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-
  • bas 01403806
  • bim-0007142.p001
  • cbmicro_007258
  • chemdiv2_000492
  • oprea1_122894
  • oprea1_591436
CAS Number(s)
  • 2215-63-6
  • 13185-09-6
InChIKey SXPJFDSMKWLOAB-UHFFFAOYSA-N
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