3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-ethylbutanoate
Chemical Structure Depiction of
3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-ethylbutanoate
3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-ethylbutanoate
Compound characteristics
| Compound ID: | 4491-0368 |
| Compound Name: | 3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-ethylbutanoate |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C21 H19 Br O5 |
| Smiles: | CCC(CC)C(=O)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2968 |
| logD: | 5.2968 |
| logSw: | -5.4006 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.306 |
| InChI Key: | MOSAKCLIFKIKEG-UHFFFAOYSA-N |