6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Chemical Structure Depiction of
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Compound characteristics
| Compound ID: | Y040-0460 |
| Compound Name: | 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate |
| Molecular Weight: | 314.72 |
| Molecular Formula: | C17 H11 Cl O4 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7573 |
| logD: | 3.7573 |
| logSw: | -4.2793 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.11 |
| InChI Key: | NNDDGYKXHGBXEG-UHFFFAOYSA-N |