2-(2-chlorophenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-chlorophenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(2-chlorophenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3310 |
| Compound Name: | 2-(2-chlorophenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 397.73 |
| Molecular Formula: | C18 H8 Cl N3 O6 |
| Smiles: | c1ccc(c(c1)N1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2955 |
| logD: | 3.2955 |
| logSw: | -3.7867 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.704 |
| InChI Key: | GTJJYSBCJMPWHO-UHFFFAOYSA-N |