5-Chloro-1,2-Benzothiazol-3(2H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C7H4ClNO3S
IUPAC Name 5-chloro-1,1-dioxo-1,2-benzothiazol-3-one
Molecular Mass 217.630 g·mol−1
Heat of Formation -389.7 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 205.17 Å 3
Surface Area 198.93 Å 2
HOMO Energy -10.74 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-benzisothiazol-3(2h)-one, 5-chloro-, 1,1-dioxide
  • 5-chloro-1,1-diketo-1,2-benzothiazol-3-one
  • 5-chlorosaccharin
CAS Number(s)
  • 29083-16-7
InChIKey WGKQCRDCROUYLI-UHFFFAOYSA-N
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Elements C Cl H O N S