3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
Chemical Structure Depiction of
3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | 3130-1400 |
| Compound Name: | 3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2-methylpropanoate |
| Molecular Weight: | 403.23 |
| Molecular Formula: | C19 H15 Br O5 |
| Smiles: | CC(C)C(=O)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4442 |
| logD: | 4.4442 |
| logSw: | -4.5486 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.306 |
| InChI Key: | LBOSUKSMOKHUMU-UHFFFAOYSA-N |