4'-({2-[(1E)-1-Buten-1-Yl]-4-Chloro-5-Formyl-1H-Imidazol-1-Yl}Methyl)-2-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C22H19ClN2O3
IUPAC Name 2-[4-[[2-[(e)-but-1-enyl]-4-chloro-5-formyl-imidazol-1-yl]methyl]phenyl]benzoic acid
Molecular Mass 394.851 g·mol−1
Heat of Formation -161.5 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 467.29 Å 3
Surface Area 385.52 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-biphenyl)-2-carboxylic acid, 4'-((2-(1-butenyl)-4-chloro-5-formyl-1h-imidazol-1-yl)methyl)-
  • 2-[4-[[2-[(e)-but-1-enyl]-4-chloro-5-formyl-1-imidazolyl]methyl]phenyl]benzoic acid
  • 2-[4-[[2-[(e)-but-1-enyl]-4-chloro-5-formyl-imidazol-1-yl]methyl]phenyl]benzoic acid
  • 2-[4-[[2-[(e)-but-1-enyl]-4-chloro-5-formylimidazol-1-yl]methyl]phenyl]benzoic acid
  • 2-[4-[[2-[(e)-but-1-enyl]-4-chloro-5-methanoyl-imidazol-1-yl]methyl]phenyl]benzoic acid
  • 4'-((2-(1-butenyl)-4-chloro-5-formyl-1h-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
  • exp-9654
CAS Number(s)
  • 129722-03-8
InChIKey AMVRXQXLMVPAGT-FPYGCLRLSA-N
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