4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl benzoate
Chemical Structure Depiction of
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl benzoate
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl benzoate
Compound characteristics
| Compound ID: | Y040-7595 |
| Compound Name: | 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl benzoate |
| Molecular Weight: | 356.8 |
| Molecular Formula: | C20 H17 Cl O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1792 |
| logD: | 5.1792 |
| logSw: | -5.5963 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.11 |
| InChI Key: | UYGVRPCZEJHVDY-UHFFFAOYSA-N |