2-(4-Fluorophenyl)-1,5-Dimethyl-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C11H11FN2O
IUPAC Name (1r)-2-(4-fluorophenyl)-1,5-dimethyl-pyrazol-3-one
Molecular Mass 206.216 g·mol−1
Heat of Formation -109.7 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 240.19 Å 3
Surface Area 227.36 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-fluorophenyl)-1,5-dimethyl-3-pyrazolone
  • 2-(4-fluorophenyl)-1,5-dimethyl-pyrazol-3-one
  • 2-(4-fluorophenyl)-1,5-dimethylpyrazol-3-one
  • 3h-pyrazol-3-one, 2-(4-fluorophenyl)-1,2-dihydro-1,5-dimethyl-
  • 4-fluoroantipyrine
CAS Number(s)
  • 5400-60-2
InChIKey DPSOQADTQNTSSG-UHFFFAOYSA-N
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