7-(2,4-dinitrophenoxy)-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-(2,4-dinitrophenoxy)-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
7-(2,4-dinitrophenoxy)-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2958 |
| Compound Name: | 7-(2,4-dinitrophenoxy)-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 420.33 |
| Molecular Formula: | C21 H12 N2 O8 |
| Smiles: | C1=C(c2ccccc2)Oc2cc(cc(c2C1=O)O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0409 |
| logD: | 4.899 |
| logSw: | -4.7878 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.63 |
| InChI Key: | VFNGEUJYPQVTEW-UHFFFAOYSA-N |