propan-2-yl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
propan-2-yl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3570-0605 |
| Compound Name: | propan-2-yl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 313.15 |
| Molecular Formula: | C13 H13 Br O4 |
| Smiles: | CC(C)OC(c1c2cc(c(cc2oc1C)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7206 |
| logD: | 3.608 |
| logSw: | -3.8137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.167 |
| InChI Key: | JXFUPKNFRIURPJ-UHFFFAOYSA-N |