7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2959 |
| Compound Name: | 7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 488.33 |
| Molecular Formula: | C22 H11 F3 N2 O8 |
| Smiles: | C1=C(c2ccccc2)Oc2cc(cc(c2C1=O)O)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6438 |
| logD: | 5.5019 |
| logSw: | -5.8257 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.416 |
| InChI Key: | AHLYXCINYVTILA-UHFFFAOYSA-N |