3,6-dichloro-1-benzothiophene-2-carboxylic acid
Chemical Structure Depiction of
3,6-dichloro-1-benzothiophene-2-carboxylic acid
3,6-dichloro-1-benzothiophene-2-carboxylic acid
Compound characteristics
| Compound ID: | G856-0683 |
| Compound Name: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid |
| Molecular Weight: | 247.1 |
| Molecular Formula: | C9 H4 Cl2 O2 S |
| Smiles: | c1cc2c(c(C(O)=O)sc2cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6888 |
| logD: | -0.9546 |
| logSw: | -3.86 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.3934 |
| InChI Key: | AAHPIJMQJAZYTM-UHFFFAOYSA-N |