3-(2,4-Difluorophenyl)-1-[4-(2,2-Dimethylpropyl)Benzyl]-1-Heptylurea

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Properties Simple | Detailed

Formula C26H36F2N2O
IUPAC Name 3-(2,4-difluorophenyl)-1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-1-heptyl-urea
Molecular Mass 430.574 g·mol−1
Heat of Formation -641.9 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 571.62 Å 3
Surface Area 474.63 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2,4-difluorophenyl)-1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-1-heptylurea
  • 3-(2,4-difluorophenyl)-1-heptyl-1-(4-neopentylbenzyl)urea
  • cl 277082
  • cl-277082
  • ddpmhu
  • n'-(2,4-difluororphenyl)-n-((4-(2,2-dimethylpropyl)phenyl)methyl)-n-heptylurea
  • urea, n'-(2,4-difluorophenyl)-n-((4-(2,2-dimethylpropyl)phenyl)methyl)-n-heptyl-
CAS Number(s)
  • 96224-26-9
InChIKey QKJLDOBXDUVGEE-UHFFFAOYSA-N
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