3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | 3130-1399 |
| Compound Name: | 3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 417.25 |
| Molecular Formula: | C20 H17 Br O5 |
| Smiles: | CC(C)(C)C(=O)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.874 |
| logD: | 4.874 |
| logSw: | -4.806 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.306 |
| InChI Key: | RVEOWKIQJPWWNE-UHFFFAOYSA-N |