6-bromo-2-(3,4-dimethylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
6-bromo-2-(3,4-dimethylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
6-bromo-2-(3,4-dimethylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8003-3838 |
| Compound Name: | 6-bromo-2-(3,4-dimethylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 425.24 |
| Molecular Formula: | C20 H13 Br N2 O4 |
| Smiles: | Cc1ccc(cc1C)N1C(c2cccc3c(c(cc(C1=O)c23)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8461 |
| logD: | 4.8461 |
| logSw: | -5.1068 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.323 |
| InChI Key: | XIXDXRRRNUPTTG-UHFFFAOYSA-N |