6-Chloro-7-Fluoro-3-Isopropylamino-4H-1,2,4-Benzothiadiazine 1,1-Dioxide

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Properties Simple | Detailed

Formula C10H11ClFN3O2S
IUPAC Name 6-chloro-7-fluoro-n-isopropyl-1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-3-amine
Molecular Mass 291.730 g·mol−1
Heat of Formation -423.2 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 299.73 Å 3
Surface Area 277.26 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry C1
Synonyms
  • (6-chloro-7-fluoro-1,1-diketo-4h-benzo[e][1,2,4]thiadiazin-3-yl)-isopropyl-amine
  • 6-chloro-7-fluoro-1,1-dioxo-n-propan-2-yl-4h-benzo[e][1,2,4]thiadiazin-3-amine
  • 6-chloro-7-fluoro-n-isopropyl-1,1-dioxo-4h-benzo[e][1,2,4]thiadiazin-3-amine
InChIKey XRQUAFKCGFTBOB-UHFFFAOYSA-N
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