methyl {[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
methyl {[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3453-0706 |
| Compound Name: | methyl {[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 473.2 |
| Molecular Formula: | C19 H12 Br F3 O6 |
| Smiles: | COC(COc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0341 |
| logD: | 4.0341 |
| logSw: | -4.3634 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.779 |
| InChI Key: | PLPCTDSARKEXAR-UHFFFAOYSA-N |