1,2-Dimethyl-3-Methoxycarbonyl-4-(2-Nitro-4,5-Dimethoxyphenyl)Pyrrole

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Properties Simple | Detailed

Formula C16H18N2O6
IUPAC Name methyl 4-(4,5-dimethoxy-2-nitro-phenyl)-1,2-dimethyl-pyrrol-1-ium-2-ylium-3-carboxylate
Molecular Mass 334.324 g·mol−1
Heat of Formation -533.9 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 385.64 Å 3
Surface Area 329.27 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-3-carboxylic acid, 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethyl-, methyl ester
  • 4-(4,5-dimethoxy-2-nitro-phenyl)-1,2-dimethyl-pyrrole-3-carboxylic acid methyl ester
  • 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethyl-3-pyrrolecarboxylic acid methyl ester
  • compound 87-305
  • methyl 4-(4,5-dimethoxy-2-nitro-phenyl)-1,2-dimethyl-pyrrole-3-carboxylate
  • methyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethyl-1h-pyrrole-3-carboxylate
CAS Number(s)
  • 117648-83-6
InChIKey FJAXEHSRPNTENB-UHFFFAOYSA-N
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