3-(4-bromophenoxy)-7-(2,4-dinitrophenoxy)-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-bromophenoxy)-7-(2,4-dinitrophenoxy)-2-methyl-4H-1-benzopyran-4-one
3-(4-bromophenoxy)-7-(2,4-dinitrophenoxy)-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1990 |
| Compound Name: | 3-(4-bromophenoxy)-7-(2,4-dinitrophenoxy)-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 513.26 |
| Molecular Formula: | C22 H13 Br N2 O8 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)Oc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4751 |
| logD: | 5.4751 |
| logSw: | -5.5022 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.959 |
| InChI Key: | IIOXFCWKZOKQRN-UHFFFAOYSA-N |