2-Hydroxy-1,2-Benzothiazol-3(2H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C7H5NO4S
IUPAC Name 2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
Molecular Mass 199.184 g·mol−1
Heat of Formation -368.4 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 195.17 Å 3
Surface Area 189.82 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-1,1-diketo-1,2-benzothiazol-3-one
InChIKey QUWBGQXYZZQGGY-UHFFFAOYSA-N
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