6-bromo-2-(4-hydroxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
6-bromo-2-(4-hydroxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
6-bromo-2-(4-hydroxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8003-3713 |
| Compound Name: | 6-bromo-2-(4-hydroxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 413.18 |
| Molecular Formula: | C18 H9 Br N2 O5 |
| Smiles: | c1cc2C(N(C(c3cc(c(c(c1)c23)[Br])[N+]([O-])=O)=O)c1ccc(cc1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0938 |
| logD: | 3.0924 |
| logSw: | -3.7078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.94 |
| InChI Key: | KUNOVFJLYMHJLL-UHFFFAOYSA-N |