butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 4790-0107 |
| Compound Name: | butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 461.31 |
| Molecular Formula: | C22 H21 Br O6 |
| Smiles: | CCCCOC(C(C)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.043 |
| logD: | 5.043 |
| logSw: | -4.7517 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.493 |
| InChI Key: | QGHGPIVZNPRJIH-AWEZNQCLSA-N |