2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoic acid
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoic acid
2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoic acid
Compound characteristics
| Compound ID: | 5847-1526 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoic acid |
| Molecular Weight: | 412.75 |
| Molecular Formula: | C19 H12 Cl F3 O5 |
| Smiles: | CC(C(O)=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4287 |
| logD: | 0.4294 |
| logSw: | -4.4739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.475 |
| InChI Key: | YPROHFBQSFVDGY-VIFPVBQESA-N |