3,6-Dichloro-1-Benzothiophene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C9H4Cl2O2S
IUPAC Name 3,6-dichlorobenzothiophene-2-carboxylic acid
Molecular Mass 247.098 g·mol−1
Heat of Formation -266.4 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 238.41 Å 3
Surface Area 223.7 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,6-dichloro-2-benzothiophenecarboxylic acid
  • 3,6-dichloro-benzo[b]thiophene-2-carboxylic acid
InChIKey AAHPIJMQJAZYTM-UHFFFAOYSA-N
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Elements H C S O Cl