4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 2,4-dichlorobenzoate
Chemical Structure Depiction of
4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 2,4-dichlorobenzoate
4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 2,4-dichlorobenzoate
Compound characteristics
| Compound ID: | Y040-3801 |
| Compound Name: | 4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl 2,4-dichlorobenzoate |
| Molecular Weight: | 363.19 |
| Molecular Formula: | C18 H12 Cl2 O4 |
| Smiles: | CC1=CC(=O)Oc2cc(C)cc(c12)OC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2791 |
| logD: | 5.2791 |
| logSw: | -6.0879 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.11 |
| InChI Key: | PZZYCLNCAWLMHQ-UHFFFAOYSA-N |