3-(3-chloro-4-fluorobenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3-chloro-4-fluorobenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
3-(3-chloro-4-fluorobenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0209 |
| Compound Name: | 3-(3-chloro-4-fluorobenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 382.79 |
| Molecular Formula: | C17 H12 Cl F O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6046 |
| logD: | 3.6046 |
| logSw: | -3.8887 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.555 |
| InChI Key: | IGHBQUTYVBMRCH-UHFFFAOYSA-N |