2-(4-amino-3-bromo-5-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-amino-3-bromo-5-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
2-(4-amino-3-bromo-5-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0726-0117 |
| Compound Name: | 2-(4-amino-3-bromo-5-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 396.58 |
| Molecular Formula: | C14 H7 Br Cl N3 O4 |
| Smiles: | c1cc2C(N(C(c2c(c1)[N+]([O-])=O)=O)c1cc(c(c(c1)[Br])N)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7043 |
| logD: | 2.7043 |
| logSw: | -3.8832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.347 |
| InChI Key: | OSXUPHSAHJXIRH-UHFFFAOYSA-N |