6,7-dinitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
6,7-dinitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
6,7-dinitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-6017 |
| Compound Name: | 6,7-dinitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C19 H8 F3 N3 O6 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.7577 |
| logD: | 3.7577 |
| logSw: | -4.3846 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.404 |
| InChI Key: | DJRYTRIRYDOGSE-UHFFFAOYSA-N |