3-chloro-N-(2,2-dinitropropyl)-2,4,6-trinitroaniline
Chemical Structure Depiction of
3-chloro-N-(2,2-dinitropropyl)-2,4,6-trinitroaniline
3-chloro-N-(2,2-dinitropropyl)-2,4,6-trinitroaniline
Compound characteristics
| Compound ID: | 8003-8030 |
| Compound Name: | 3-chloro-N-(2,2-dinitropropyl)-2,4,6-trinitroaniline |
| Molecular Weight: | 394.64 |
| Molecular Formula: | C9 H7 Cl N6 O10 |
| Smiles: | CC(CNc1c(cc(c(c1[N+]([O-])=O)[Cl])[N+]([O-])=O)[N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3053 |
| logD: | 1.3041 |
| logSw: | -2.9687 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 178.358 |
| InChI Key: | LOPDYRBBSXWADO-UHFFFAOYSA-N |