methyl 6-bromo-5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
methyl 6-bromo-5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3570-0738 |
| Compound Name: | methyl 6-bromo-5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 324.13 |
| Molecular Formula: | C13 H10 Br N O4 |
| Smiles: | Cc1c(C(=O)OC)c2cc(c(cc2o1)[Br])OCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.6789 |
| logD: | 2.6789 |
| logSw: | -2.6911 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.356 |
| InChI Key: | MRYUZZFYXMFWHY-UHFFFAOYSA-N |