3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl butanoate
Chemical Structure Depiction of
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl butanoate
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl butanoate
Compound characteristics
| Compound ID: | 4300-0182 |
| Compound Name: | 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl butanoate |
| Molecular Weight: | 471.23 |
| Molecular Formula: | C20 H14 Br F3 O5 |
| Smiles: | CCCC(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3813 |
| logD: | 5.3813 |
| logSw: | -5.4582 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.756 |
| InChI Key: | ZRNBIMMEUCRHSP-UHFFFAOYSA-N |