methyl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
methyl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3570-0646 |
| Compound Name: | methyl 6-bromo-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 369.21 |
| Molecular Formula: | C16 H17 Br O5 |
| Smiles: | Cc1c(C(=O)OC)c2cc(c(cc2o1)[Br])OC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.391 |
| logD: | 4.391 |
| logSw: | -4.6112 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.096 |
| InChI Key: | QLJQLPNZYUGYQI-UHFFFAOYSA-N |