4-ethyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzoate
Chemical Structure Depiction of
4-ethyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzoate
4-ethyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | Y040-3749 |
| Compound Name: | 4-ethyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzoate |
| Molecular Weight: | 328.75 |
| Molecular Formula: | C18 H13 Cl O4 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0693 |
| logD: | 4.0693 |
| logSw: | -4.5286 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.023 |
| InChI Key: | DWAADOICVQSTPC-UHFFFAOYSA-N |