2-Butyl-4-Chloro-1-{[2'-(1H-Tetrazol-5-Yl)Biphenyl-4-Yl]Methyl}-1H-Imidazole-5-Carbaldehyde

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Properties Simple | Detailed

Formula C22H21ClN6O
IUPAC Name 2-butyl-5-chloro-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
Molecular Mass 420.895 g·mol−1
Heat of Formation 426.8 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 504.69 Å 3
Surface Area 404.52 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butyl-5-chloro-3-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]imidazole-4-carbaldehyde
  • 2-butyl-5-chloro-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
  • 2-butyl-5-chloro-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolecarboxaldehyde
InChIKey FQZSMTSTFMNWQF-UHFFFAOYSA-N
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Elements H C N O Cl