{[3-(4-bromophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
Chemical Structure Depiction of
{[3-(4-bromophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
{[3-(4-bromophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
Compound characteristics
| Compound ID: | Y041-1236 |
| Compound Name: | {[3-(4-bromophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile |
| Molecular Weight: | 356.17 |
| Molecular Formula: | C17 H10 Br N O3 |
| Smiles: | C(C#N)Oc1ccc2C(C(=COc2c1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2733 |
| logD: | 3.2733 |
| logSw: | -3.6302 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.77 |
| InChI Key: | VYSDSXQLBQRZCK-UHFFFAOYSA-N |