4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate
4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5329 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate |
| Molecular Weight: | 350.78 |
| Molecular Formula: | C16 H11 Cl O5 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OS(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.541 |
| logD: | 3.541 |
| logSw: | -3.9514 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.407 |
| InChI Key: | OBUUNGAXRVBPTJ-UHFFFAOYSA-N |