2-(3-methylphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-methylphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(3-methylphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3312 |
| Compound Name: | 2-(3-methylphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 377.31 |
| Molecular Formula: | C19 H11 N3 O6 |
| Smiles: | Cc1cccc(c1)N1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3995 |
| logD: | 3.3995 |
| logSw: | -4.0071 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.404 |
| InChI Key: | GGYHPXQDCDMBBT-UHFFFAOYSA-N |