4-Bromo-1,5-Dimethyl-2-Phenyl-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C11H11BrN2O
IUPAC Name 4-bromo-1,5-dimethyl-2-phenyl-pyrazole-1,2-diium-3-one
Molecular Mass 267.122 g·mol−1
Heat of Formation 119.2 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 257.87 Å 3
Surface Area 240.71 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-pyrazol-3-one, 4-bromo-1,2-dihydro-1,5-dimethyl-2-phenyl-
  • 3h-pyrazol-3-one, 4-bromo-1,2-dihydro-1,5-dimethyl-2-phenyl- (9ci)
  • 4-bromo-1,5-dimethyl-2-phenyl-3-pyrazolone
  • 4-bromo-1,5-dimethyl-2-phenyl-pyrazol-3-one
  • 4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one
  • 4-bromoantipyrine
  • antipyrine, 4-bromo-
  • antipyrine, 4-bromo- (8ci)
CAS Number(s)
  • 5426-65-3
InChIKey QYWWSDVPNCBSIA-UHFFFAOYSA-N
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Elements H C O Br N