(6Z)-6-[5-(3-Fluorophenyl)-1,2-Dihydro-3H-Pyrazol-3-Ylidene]-3-Methyl-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C16H13FN2O
IUPAC Name (6z)-6-[5-(3-fluorophenyl)pyrazole-1,2-diium-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one
Molecular Mass 268.286 g·mol−1
Heat of Formation 32.9 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 308.85 Å 3
Surface Area 291.32 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (6z)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-1-cyclohexa-2,4-dienone
  • (6z)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one
  • (6z)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methylcyclohexa-2,4-dien-1-one
  • 2-[5-(3-fluoro-phenyl)-1h-pyrazol-3-yl]-5-methyl-phenol
  • 2-[5-(3-fluorophenyl)-1h-pyrazol-3-yl]-5-methylphenol
  • 6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-1-cyclohexa-2,4-dienone
  • 6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one
  • 6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methylcyclohexa-2,4-dien-1-one
  • bas 01121832
  • oprea1_222721
  • oprea1_324915
InChIKey NMSUJZIBFVWVDW-SQFISAMPSA-N
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