7-(2,4-dinitrophenoxy)-3-(3-methoxyphenoxy)-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-(2,4-dinitrophenoxy)-3-(3-methoxyphenoxy)-2-methyl-4H-1-benzopyran-4-one
7-(2,4-dinitrophenoxy)-3-(3-methoxyphenoxy)-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1991 |
| Compound Name: | 7-(2,4-dinitrophenoxy)-3-(3-methoxyphenoxy)-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 464.39 |
| Molecular Formula: | C23 H16 N2 O9 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)Oc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6028 |
| logD: | 4.6028 |
| logSw: | -4.6536 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.503 |
| InChI Key: | KXJKRLVLFSPMCM-UHFFFAOYSA-N |