5-(4-Chlorophenyl)-1-(4-Methoxyphenyl)-3-(Trifluoromethyl)-1H-Pyrazole

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Properties Simple | Detailed

Formula C17H12ClF3N2O
IUPAC Name 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-ium-2-ide
Molecular Mass 352.738 g·mol−1
Heat of Formation -449.6 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 378.33 Å 3
Surface Area 334.06 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
  • 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethyl pyrazole
  • 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
  • sc-560
InChIKey PQUGCKBLVKJMNT-UHFFFAOYSA-N
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Elements C F H Cl O N