5-[(4-Iodophenyl)Sulfonyl]-1-Methyl-4-Nitro-1H-Imidazole

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Properties Simple | Detailed

Formula C10H9IN3O4S
IUPAC Name 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitro-imidazol-3-ium-5-ide
Molecular Mass 394.166 g·mol−1
Heat of Formation 4.7 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 315.35 Å 3
Surface Area 278.55 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-4-nitro-5-imidazolyl-4-iodophenyl sulfone
  • 1h-imidazole, 5-((4-iodophenyl)sulfonyl)-1-methyl-4-nitro-
  • 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitro-imidazole
  • 5-(4-iodophenyl)sulfonyl-1-methyl-4-nitroimidazole
  • mniips
CAS Number(s)
  • 131134-90-2
InChIKey FPYKZSSYHWAAOB-UHFFFAOYSA-N
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