8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl benzoate
Chemical Structure Depiction of
8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl benzoate
8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl benzoate
Compound characteristics
| Compound ID: | D060-0049 |
| Compound Name: | 8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl benzoate |
| Molecular Weight: | 348.28 |
| Molecular Formula: | C18 H11 F3 O4 |
| Smiles: | Cc1c(ccc2C(=CC(=O)Oc12)C(F)(F)F)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9262 |
| logD: | 3.9262 |
| logSw: | -4.2177 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.794 |
| InChI Key: | ZQHBIVDCVMNLEJ-UHFFFAOYSA-N |