5-[(4-bromobenzene-1-sulfinyl)methyl]furan-2-carboxylic acid
Chemical Structure Depiction of
5-[(4-bromobenzene-1-sulfinyl)methyl]furan-2-carboxylic acid
5-[(4-bromobenzene-1-sulfinyl)methyl]furan-2-carboxylic acid
Compound characteristics
| Compound ID: | K780-1229 |
| Compound Name: | 5-[(4-bromobenzene-1-sulfinyl)methyl]furan-2-carboxylic acid |
| Molecular Weight: | 329.17 |
| Molecular Formula: | C12 H9 Br O4 S |
| Smiles: | C(c1ccc(C(O)=O)o1)S(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6902 |
| logD: | -1.2937 |
| logSw: | -2.7258 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.629 |
| InChI Key: | NIOJPORGOUCBIE-UHFFFAOYSA-N |