6-Nitro-1,2,3-Benzothiadiazole

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Properties Simple | Detailed

Formula C6H3N3O2S
IUPAC Name 6-nitro-1,2,3-benzothiadiazole
Molecular Mass 181.172 g·mol−1
Heat of Formation 296.2 ± 16.7 kJ·mol−1
Dipole Moment 0.90 ± 1.08 D
Volume 182.07 Å 3
Surface Area 180.2 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -2.28 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,3-benzothiadiazole, 6-nitro-
CAS Number(s)
  • 29241-16-5
InChIKey UKEXDPWRCYZDHX-UHFFFAOYSA-N
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