6-chloro-7-[(3-oxobutan-2-yl)oxy]-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-[(3-oxobutan-2-yl)oxy]-4-phenyl-2H-1-benzopyran-2-one
6-chloro-7-[(3-oxobutan-2-yl)oxy]-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0271 |
| Compound Name: | 6-chloro-7-[(3-oxobutan-2-yl)oxy]-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 342.78 |
| Molecular Formula: | C19 H15 Cl O4 |
| Smiles: | CC(C(C)=O)Oc1cc2c(cc1[Cl])C(=CC(=O)O2)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.209 |
| logD: | 4.209 |
| logSw: | -4.6486 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.077 |
| InChI Key: | ZZBZHKRMPYPASA-LBPRGKRZSA-N |