methyl ({2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Chemical Structure Depiction of
methyl ({2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
methyl ({2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Compound characteristics
| Compound ID: | Y043-5873 |
| Compound Name: | methyl ({2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate |
| Molecular Weight: | 362.74 |
| Molecular Formula: | C18 H12 Cl F O5 |
| Smiles: | COC(COc1ccc2C(/C(=C/c3c(cccc3[Cl])F)Oc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1496 |
| logD: | 3.1496 |
| logSw: | -3.5831 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.441 |
| InChI Key: | BSZQUUBAYUYWPR-UHFFFAOYSA-N |