6-bromo-3-(4-fluorobenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-(4-fluorobenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
6-bromo-3-(4-fluorobenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1051 |
| Compound Name: | 6-bromo-3-(4-fluorobenzene-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 413.22 |
| Molecular Formula: | C16 H10 Br F O5 S |
| Smiles: | COc1cc(cc2C=C(C(=O)Oc12)S(c1ccc(cc1)F)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7019 |
| logD: | 3.7019 |
| logSw: | -4.1352 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.976 |
| InChI Key: | KCFOSTCLKDIBTP-UHFFFAOYSA-N |