5-[(2-Chloro-6-Methylphenyl)Sulfonyl]-1-Methyl-4-Nitro-1H-Imidazole

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Properties Simple | Detailed

Formula C11H10ClN3O4S
IUPAC Name 5-(2-chloro-6-methyl-phenyl)sulfonyl-1-methyl-4-nitro-imidazole
Molecular Mass 315.733 g·mol−1
Heat of Formation 1338.0 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 312.52 Å 3
Surface Area 267.6 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-4-nitro-5-imidazolyl-2-chloro-6-methylphenyl sulfone
  • 1h-imidazole, 5-((2-chloro-6-methylphenyl)sulfonyl)-1-methyl-4-nitro-
  • 5-(2-chloro-6-methyl-phenyl)sulfonyl-1-methyl-4-nitro-imidazole
  • 5-(2-chloro-6-methylphenyl)sulfonyl-1-methyl-4-nitroimidazole
  • mnicmps
CAS Number(s)
  • 131134-91-3
InChIKey FMIVUKKSIFSQMV-UHFFFAOYSA-N
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