[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetonitrile
Chemical Structure Depiction of
[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetonitrile
[(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetonitrile
Compound characteristics
| Compound ID: | Y040-7198 |
| Compound Name: | [(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetonitrile |
| Molecular Weight: | 311.72 |
| Molecular Formula: | C17 H10 Cl N O3 |
| Smiles: | C(C#N)Oc1cc2c(cc1[Cl])C(=CC(=O)O2)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4138 |
| logD: | 3.4138 |
| logSw: | -4.0821 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.37 |
| InChI Key: | TWITZKUIUDCAJN-UHFFFAOYSA-N |