6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
Chemical Structure Depiction of
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | Y040-3956 |
| Compound Name: | 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate |
| Molecular Weight: | 328.75 |
| Molecular Formula: | C18 H13 Cl O4 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2857 |
| logD: | 4.2857 |
| logSw: | -4.6221 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.11 |
| InChI Key: | QQLVTSREXHKOTA-UHFFFAOYSA-N |