2-(3-chloroanilino)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-chloroanilino)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(3-chloroanilino)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3347 |
| Compound Name: | 2-(3-chloroanilino)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 412.74 |
| Molecular Formula: | C18 H9 Cl N4 O6 |
| Smiles: | c1cc(cc(c1)[Cl])NN1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4978 |
| logD: | 2.3545 |
| logSw: | -3.9572 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.238 |
| InChI Key: | PWXHXQHHCHEFQD-UHFFFAOYSA-N |