3-(4-bromophenoxy)-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-bromophenoxy)-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-methyl-4H-1-benzopyran-4-one
3-(4-bromophenoxy)-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1989 |
| Compound Name: | 3-(4-bromophenoxy)-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 581.25 |
| Molecular Formula: | C23 H12 Br F3 N2 O8 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)=O)Oc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.078 |
| logD: | 6.078 |
| logSw: | -5.6487 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.745 |
| InChI Key: | NSXIEYULFRYKIL-UHFFFAOYSA-N |