methyl 5-[(4-bromobenzene-1-sulfonyl)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-bromobenzene-1-sulfonyl)methyl]furan-2-carboxylate
methyl 5-[(4-bromobenzene-1-sulfonyl)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | K780-0688 |
| Compound Name: | methyl 5-[(4-bromobenzene-1-sulfonyl)methyl]furan-2-carboxylate |
| Molecular Weight: | 359.19 |
| Molecular Formula: | C13 H11 Br O5 S |
| Smiles: | COC(c1ccc(CS(c2ccc(cc2)[Br])(=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0453 |
| logD: | 3.0453 |
| logSw: | -3.2482 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.018 |
| InChI Key: | HHARQTPSVLQNKF-UHFFFAOYSA-N |