3-(3-chloro-4-fluorobenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3-chloro-4-fluorobenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
3-(3-chloro-4-fluorobenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0210 |
| Compound Name: | 3-(3-chloro-4-fluorobenzene-1-sulfonyl)-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 368.77 |
| Molecular Formula: | C16 H10 Cl F O5 S |
| Smiles: | COc1ccc2C=C(C(=O)Oc2c1)S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2422 |
| logD: | 3.2422 |
| logSw: | -3.6008 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.205 |
| InChI Key: | UPPXNWIIJNHNBX-UHFFFAOYSA-N |