3-(3-chloro-4-methylbenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3-chloro-4-methylbenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
3-(3-chloro-4-methylbenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C200-7196 |
| Compound Name: | 3-(3-chloro-4-methylbenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 364.8 |
| Molecular Formula: | C17 H13 Cl O5 S |
| Smiles: | Cc1ccc(cc1[Cl])S(C1=Cc2ccc(cc2OC1=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9022 |
| logD: | 3.9022 |
| logSw: | -4.3496 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.205 |
| InChI Key: | CVQILTFGFRRTMT-UHFFFAOYSA-N |