7-Chloro-6-(Trifluoromethyl)-2H-1,2,4-Benzothiadiazine 1,1-Dioxide

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Properties Simple | Detailed

Formula C8H4ClF3N2O2S
IUPAC Name 7-chloro-6-(trifluoromethyl)-4h-1λ6,2,4-benzothiadiazine 1,1-dioxide
Molecular Mass 284.643 g·mol−1
Heat of Formation -826.7 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 250.34 Å 3
Surface Area 232.04 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1,2,4-benzothiadiazine, 7-chloro-6-(trifluoromethyl)-, 1,1-dioxide
  • 7-chloro-6-(trifluoromethyl)-1,2,4-benzothiadiazine 1,1-dioxide
  • 7-chloro-6-(trifluoromethyl)-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CAS Number(s)
  • 55933-18-1
InChIKey BVYTXZDHQNGVOE-UHFFFAOYSA-N
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