1-Benzyl-1-{[3-(4-Chlorophenyl)-5-Methyl-1-Benzofuran-2-Yl]Methyl}-3-(2,4,6-Trifluorophenyl)Urea

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Formula C30H22ClF3N2O2
IUPAC Name 1-benzyl-1-[[3-(4-chlorophenyl)-5-methyl-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
Molecular Mass 534.956 g·mol−1
Heat of Formation -501.7 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 597.22 Å 3
Surface Area 481.32 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)-1-[[3-(4-chlorophenyl)-5-methyl-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
  • 1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-1-(phenylmethyl)-3-(2,4,6-trifluorophenyl)urea
  • 1-[[3-(4-chlorophenyl)-5-methyl-2-benzofuranyl]methyl]-1-(phenylmethyl)-3-(2,4,6-trifluorophenyl)urea
  • 1-[[3-(4-chlorophenyl)-5-methyl-benzofuran-2-yl]methyl]-1-(phenylmethyl)-3-(2,4,6-trifluorophenyl)urea
InChIKey GJRPAGNTTAPJCC-UHFFFAOYSA-N
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Elements C F H Cl O N