5-Nitro-3H-1,2-Benzoxathiole 2,2-Dioxide

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Properties Simple | Detailed

Formula C7H5NO5S
IUPAC Name 5-nitro-3h-1,2λ6-benzoxathiole 2,2-dioxide
Molecular Mass 215.183 g·mol−1
Heat of Formation -404.9 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 205.05 Å 3
Surface Area 200.18 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-hydroxy-5-nitro-alpha-toluenesulfonic acid sultone
  • 2-hydroxy-5-nitrophenylmethanesulfonic acid sultone
  • 3h-1,2-benzoxathiole, 5-nitro-, 2,2-dioxide
  • 4-hydroxy-5-nitrophenylmethanesulfonic acid sultone
  • 5-nitro-3h-benzo[d][1,2]oxathiole 2,2-dioxide
  • 5-nitro-3h-benzo[d]oxathiole 2,2-dioxide
  • 7e-001
CAS Number(s)
  • 14618-10-1
InChIKey NKGKZWZGRMZCMO-UHFFFAOYSA-N
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