2,1,3-Benzothiadiazole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H4N2O2S
IUPAC Name 2,1,3-benzothiadiazole-5-carboxylic acid
Molecular Mass 180.184 g·mol−1
Heat of Formation -44.3 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 186.61 Å 3
Surface Area 183.97 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,1,3-benzothiadiazole-6-carboxylic acid
  • bas 00898161
  • benzo[1,2,5]thiadiazole-5-carboxylic acid
  • piazthiole-5-carboxylic acid
  • sdccgmls-0065945.p001
  • timtec1_002664
InChIKey YHMXJZVGBCACMT-UHFFFAOYSA-N
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