propan-2-yl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
propan-2-yl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
propan-2-yl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5596-0225 |
| Compound Name: | propan-2-yl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 447.28 |
| Molecular Formula: | C21 H19 Br O6 |
| Smiles: | CC(C)OC(C(C)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5015 |
| logD: | 4.5015 |
| logSw: | -4.5748 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.878 |
| InChI Key: | LSTQBOWVZCLFFL-ZDUSSCGKSA-N |