3-[(4-bromobenzene-1-sulfonyl)acetyl]-6-fluoro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(4-bromobenzene-1-sulfonyl)acetyl]-6-fluoro-2H-1-benzopyran-2-one
3-[(4-bromobenzene-1-sulfonyl)acetyl]-6-fluoro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0455 |
| Compound Name: | 3-[(4-bromobenzene-1-sulfonyl)acetyl]-6-fluoro-2H-1-benzopyran-2-one |
| Molecular Weight: | 425.23 |
| Molecular Formula: | C17 H10 Br F O5 S |
| Smiles: | C(C(C1=Cc2cc(ccc2OC1=O)F)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0657 |
| logD: | 3.0657 |
| logSw: | -3.4568 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.172 |
| InChI Key: | VRHHNSCPUINMOH-UHFFFAOYSA-N |