7-(2,4-dinitrophenoxy)-8-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(2,4-dinitrophenoxy)-8-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one
7-(2,4-dinitrophenoxy)-8-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-2019 |
| Compound Name: | 7-(2,4-dinitrophenoxy)-8-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 410.26 |
| Molecular Formula: | C17 H9 F3 N2 O7 |
| Smiles: | Cc1c(ccc2C(=CC(=O)Oc12)C(F)(F)F)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0608 |
| logD: | 4.0608 |
| logSw: | -4.4799 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.713 |
| InChI Key: | OARDVLLTTGIVOI-UHFFFAOYSA-N |