tert-butyl [(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
tert-butyl [(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetate
tert-butyl [(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y043-7909 |
| Compound Name: | tert-butyl [(6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C21 H19 Cl O5 |
| Smiles: | CC(C)(C)OC(COc1cc2c(cc1[Cl])C(=CC(=O)O2)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7438 |
| logD: | 4.7438 |
| logSw: | -4.9304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.228 |
| InChI Key: | ALUDYILHKBLFDL-UHFFFAOYSA-N |