2,3-Dicarboxy-4-(2-Chlorophenyl)-1-Ethyl-5-(Isopropoxycarbonyl)-6-Methylpyridinium

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Properties Simple | Detailed

Formula C20H21ClNO6+
IUPAC Name 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-(1-methylethoxycarbonyl)pyridin-1-ium-2,3-dicarboxylic acid
Molecular Mass 406.837 g·mol−1
Heat of Formation 2297.4 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 432.6 Å 3
Surface Area 352.38 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium
  • 4-(2-chlorophenyl)-1-ethyl-5-(isopropoxy-oxomethyl)-6-methylpyridin-1-ium-2,3-dicarboxylic acid
  • 4-(2-chlorophenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridin-1-ium-2,3-dicarboxylic acid
  • 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonyl-pyridin-1-ium-2,3-dicarboxylic acid
  • 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonylpyridin-1-ium-2,3-dicarboxylic acid
InChIKey HMSIYRVIPQHZBI-UHFFFAOYSA-O
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Elements C N O Cl