methyl {[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}acetate
methyl {[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | D715-0004 |
| Compound Name: | methyl {[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 302.2 |
| Molecular Formula: | C13 H9 F3 O5 |
| Smiles: | COC(COc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6386 |
| logD: | 1.6386 |
| logSw: | -2.3443 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.724 |
| InChI Key: | WGDGLHDMXWBFIU-UHFFFAOYSA-N |