5-(4-Fluorophenyl)-1-[4-(Methylsulfonyl)Phenyl]-3-(Trifluoromethyl)-1H-Pyrazole

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Properties Simple | Detailed

Formula C17H12F4N2O2S
IUPAC Name 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
Molecular Mass 384.348 g·mol−1
Heat of Formation -782.0 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 398.07 Å 3
Surface Area 348.67 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole
  • 1h-pyrazole, 5-(4-fluorophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-
  • 5-(4-fluorophenyl)-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole
  • 5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
  • curator_000018
  • sc 58125
  • sc-58125
CAS Number(s)
  • 162054-19-5
InChIKey JHBIMJKLBUMNAU-UHFFFAOYSA-N
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