4H-1,2,4-Benzothiadiazine-3-Carboxylic Acid 1,1-Dioxide

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Properties Simple | Detailed

Formula C8H6N2O4S
IUPAC Name 1,1-dioxo-4h-1λ6,2,4-benzothiadiazine-3-carboxylic acid
Molecular Mass 226.209 g·mol−1
Heat of Formation -463.4 ± 16.7 kJ·mol−1
Dipole Moment 8.30 ± 1.08 D
Volume 222.49 Å 3
Surface Area 215.42 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-diketo-4h-benzo[e][1,2,4]thiadiazine-3-carboxylic acid
  • 1,1-dioxo-4h-benzo[e][1,2,4]thiadiazine-3-carboxylic acid
  • 2h-1,2,4-benzothiadiazine-1,1-dioxide-3-carboxylic acid
  • 2h-1,2,4-benzothiadiazine-3-carboxylic acid, 1,1-dioxide
CAS Number(s)
  • 57864-78-5
InChIKey AIARBUCVYFXSIS-UHFFFAOYSA-N
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