2-[(4-bromoanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(4-bromoanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[(4-bromoanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2314-0231 |
| Compound Name: | 2-[(4-bromoanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 376.16 |
| Molecular Formula: | C15 H10 Br N3 O4 |
| Smiles: | C(Nc1ccc(cc1)[Br])N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5905 |
| logD: | 3.5905 |
| logSw: | -3.8598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.033 |
| InChI Key: | NQQBVFLQWJOTRL-UHFFFAOYSA-N |