3,4-Dichloro-5-Isothiazolecarboxylic Acid

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Properties Simple | Detailed

Formula C4HCl2NO2S
IUPAC Name 3,4-dichloroisothiazole-5-carboxylic acid
Molecular Mass 198.027 g·mol−1
Heat of Formation -234.1 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 176.88 Å 3
Surface Area 174.74 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dichloro-1,2-thiazole-5-carboxylic acid
  • 3,4-dichloro-5-isothiazolecarboxylate
  • 5-isothiazolecarboxylic acid, 3,4-dichloro-
CAS Number(s)
  • 18480-53-0
InChIKey HQZKNCJWLIWCSV-UHFFFAOYSA-N
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