6-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0103 |
| Compound Name: | 6-chloro-3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 348.8 |
| Molecular Formula: | C17 H13 Cl O4 S |
| Smiles: | Cc1ccc(cc1C)S(C1=Cc2cc(ccc2OC1=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2791 |
| logD: | 4.2791 |
| logSw: | -4.5813 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.661 |
| InChI Key: | NGYYPBBESLIPQW-UHFFFAOYSA-N |