8-acetyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzoate
Chemical Structure Depiction of
8-acetyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzoate
8-acetyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 3230-2240 |
| Compound Name: | 8-acetyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzoate |
| Molecular Weight: | 356.76 |
| Molecular Formula: | C19 H13 Cl O5 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2C(C)=O)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5613 |
| logD: | 3.5613 |
| logSw: | -4.4208 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.621 |
| InChI Key: | RPPWSYJEDVMFGZ-UHFFFAOYSA-N |