3,5-Dimethyl-4-[(Nitromethyl)Sulfonyl]Aniline

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Properties Simple | Detailed

Formula C9H12N2O4S
IUPAC Name 3,5-dimethyl-4-(nitromethylsulfonyl)aniline
Molecular Mass 244.268 g·mol−1
Heat of Formation -336.9 ± 16.7 kJ·mol−1
Dipole Moment 10.77 ± 1.08 D
Volume 264.32 Å 3
Surface Area 239.58 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,5-dimethyl-4-((nitromethyl)sulfonyl)benzenamine
  • 4-amino-2,6-dimethylphenylsulfonyl nitromethane
  • [3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]amine
  • ici 222155
  • ici-222155
CAS Number(s)
  • 132414-04-1
InChIKey FIMPGOJEDMNMHL-UHFFFAOYSA-N
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