3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
Chemical Structure Depiction of
3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
Compound characteristics
| Compound ID: | 0099-0128 |
| Compound Name: | 3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione |
| Molecular Weight: | 698.02 |
| Molecular Formula: | C21 H14 Br4 O5 S |
| Smiles: | Cc1c(cc(c(c1[Br])O)[Br])C1(c2ccccc2S(=O)(=O)O1)c1cc(c(c(c1C)[Br])O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.5491 |
| logD: | 7.1294 |
| logSw: | -5.7886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.644 |
| InChI Key: | FRPHFZCDPYBUAU-UHFFFAOYSA-N |