{[3-(2-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
Chemical Structure Depiction of
{[3-(2-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
{[3-(2-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
Compound characteristics
| Compound ID: | Y041-1210 |
| Compound Name: | {[3-(2-bromophenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile |
| Molecular Weight: | 386.2 |
| Molecular Formula: | C18 H12 Br N O4 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC#N)=O)Oc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5228 |
| logD: | 3.5228 |
| logSw: | -3.8657 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.659 |
| InChI Key: | WAVRULMFLSYQRV-UHFFFAOYSA-N |