4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl furan-2-carboxylate
Chemical Structure Depiction of
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl furan-2-carboxylate
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | Y040-1707 |
| Compound Name: | 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl furan-2-carboxylate |
| Molecular Weight: | 346.77 |
| Molecular Formula: | C18 H15 Cl O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4073 |
| logD: | 4.4073 |
| logSw: | -4.6931 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.688 |
| InChI Key: | YDCXYMSULRFTAZ-UHFFFAOYSA-N |