methyl ({2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Chemical Structure Depiction of
methyl ({2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
methyl ({2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Compound characteristics
| Compound ID: | Y041-2517 |
| Compound Name: | methyl ({2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C18 H13 Br O5 |
| Smiles: | COC(COc1ccc2C(/C(=C/c3ccccc3[Br])Oc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3663 |
| logD: | 3.3663 |
| logSw: | -3.8626 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.441 |
| InChI Key: | BVDZPQNWNMZUTI-UHFFFAOYSA-N |