7-chloro-4-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
7-chloro-4-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-5-amine
7-chloro-4-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | R052-2776 |
| Compound Name: | 7-chloro-4-nitro-N-(propan-2-yl)-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 256.65 |
| Molecular Formula: | C9 H9 Cl N4 O3 |
| Smiles: | CC(C)Nc1cc(c2c(c1[N+]([O-])=O)non2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4075 |
| logD: | 3.4075 |
| logSw: | -3.8792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.661 |
| InChI Key: | HKPCEQSSBDEKPB-UHFFFAOYSA-N |