2-methylpropyl {[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
2-methylpropyl {[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
2-methylpropyl {[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3793-3304 |
| Compound Name: | 2-methylpropyl {[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 447.28 |
| Molecular Formula: | C21 H19 Br O6 |
| Smiles: | CC(C)COC(COc1ccc2C(C(=COc2c1)Oc1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4919 |
| logD: | 4.4919 |
| logSw: | -4.596 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.69 |
| InChI Key: | MOZJRSVHOHNSIA-UHFFFAOYSA-N |