6-bromo-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6-bromo-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1109 |
| Compound Name: | 6-bromo-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 397.22 |
| Molecular Formula: | C16 H10 Br F O4 S |
| Smiles: | Cc1cc(ccc1F)S(C1=Cc2cc(ccc2OC1=O)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.877 |
| logD: | 3.877 |
| logSw: | -4.1076 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.661 |
| InChI Key: | JBPXGXBUVBESPF-UHFFFAOYSA-N |