[2-Butyl-5-Chloro-1-(2-Chlorobenzyl)-1H-Imidazol-4-Yl]Methyl Acetate

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Properties Simple | Detailed

Formula C17H20Cl2N2O2
IUPAC Name [2-butyl-5-chloro-1-[(2-chlorophenyl)methyl]imidazol-1-ium-2-ylium-4-yl]methyl acetate
Molecular Mass 355.259 g·mol−1
Heat of Formation -334.7 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 410.54 Å 3
Surface Area 356.38 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (4-(2-n-butyl-5-chloro-1-(2-chlorobenzyl)imidazolyl)methyl) acetate
  • 4-bccima
  • [2-butyl-5-chloro-1-[(2-chlorophenyl)methyl]imidazol-4-yl]methyl acetate
  • [2-butyl-5-chloro-1-[(2-chlorophenyl)methyl]imidazol-4-yl]methyl ethanoate
  • acetic acid [2-butyl-5-chloro-1-(2-chlorobenzyl)imidazol-4-yl]methyl ester
  • acetic acid [2-butyl-5-chloro-1-[(2-chlorophenyl)methyl]-4-imidazolyl]methyl ester
CAS Number(s)
  • 131549-86-5
InChIKey WBFAHXKJEZSANA-UHFFFAOYSA-N
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