8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl benzenesulfonate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl benzenesulfonate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl benzenesulfonate
Compound characteristics
| Compound ID: | Y041-5367 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl benzenesulfonate |
| Molecular Weight: | 376.81 |
| Molecular Formula: | C18 H13 Cl O5 S |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OS(c1ccccc1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9856 |
| logD: | 3.9856 |
| logSw: | -4.5159 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.295 |
| InChI Key: | WVPGFJLUADIWIL-UHFFFAOYSA-N |