3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | Y040-7125 |
| Compound Name: | 3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 287.1 |
| Molecular Formula: | C12 H8 Cl2 O4 |
| Smiles: | CC1=C(C(=O)Oc2cc(c(cc12)[Cl])OC(C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0538 |
| logD: | 3.0538 |
| logSw: | -3.4344 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.998 |
| InChI Key: | DPVKITBSKINBGW-UHFFFAOYSA-N |