6,8-dibromo-3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-dibromo-3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6,8-dibromo-3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0105 |
| Compound Name: | 6,8-dibromo-3-(3,4-dimethylbenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 472.15 |
| Molecular Formula: | C17 H12 Br2 O4 S |
| Smiles: | Cc1ccc(cc1C)S(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3987 |
| logD: | 5.3987 |
| logSw: | -5.5169 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.345 |
| InChI Key: | HQVQOWAQVDXXCD-UHFFFAOYSA-N |