N~1~-(2-chloro-4-nitrophenyl)propane-1,2-diamine
Chemical Structure Depiction of
N~1~-(2-chloro-4-nitrophenyl)propane-1,2-diamine
N~1~-(2-chloro-4-nitrophenyl)propane-1,2-diamine
Compound characteristics
| Compound ID: | 2023-0035 |
| Compound Name: | N~1~-(2-chloro-4-nitrophenyl)propane-1,2-diamine |
| Molecular Weight: | 229.66 |
| Molecular Formula: | C9 H12 Cl N3 O2 |
| Smiles: | CC(CNc1ccc(cc1[Cl])[N+]([O-])=O)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7054 |
| logD: | 0.1192 |
| logSw: | -2.6068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.602 |
| InChI Key: | DZOFIAHFEDPVKP-LURJTMIESA-N |