methyl [(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
methyl [(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
methyl [(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | 4182-0511 |
| Compound Name: | methyl [(4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C16 H17 Cl O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7269 |
| logD: | 3.7269 |
| logSw: | -4.1187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.81 |
| InChI Key: | UIBRXWMDJJLJAQ-UHFFFAOYSA-N |