6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl benzenesulfonate
Chemical Structure Depiction of
6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl benzenesulfonate
6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl benzenesulfonate
Compound characteristics
| Compound ID: | Y041-5354 |
| Compound Name: | 6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl benzenesulfonate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H13 Cl O5 S |
| Smiles: | C1=C(c2ccccc2)c2cc(c(cc2OC1=O)OS(c1ccccc1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5997 |
| logD: | 4.5997 |
| logSw: | -4.9493 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.222 |
| InChI Key: | DHCOLGXQYLTELT-UHFFFAOYSA-N |