6-[(2S)-2-(4-Cyanophenyl)-2-Hydroxy-2-(1-Methyl-1H-Imidazol-5-Yl)Ethoxy]-4'-(Trifluoromethoxy)-3-Biphenylcarbonitrile

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Properties Simple | Detailed

Formula C27H19F3N4O3
IUPAC Name 4-[(2s)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile
Molecular Mass 504.460 g·mol−1
Heat of Formation -535.2 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 561.34 Å 3
Surface Area 441.31 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methyl-4-imidazolyl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile
  • a-409100
  • abt 100
  • abt-100
  • abt100
CAS Number(s)
  • 450839-40-4
InChIKey HEUVRFNVTLGKMZ-SANMLTNESA-N
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