2,4-dinitro-N-(prop-2-yn-1-yl)aniline
Chemical Structure Depiction of
2,4-dinitro-N-(prop-2-yn-1-yl)aniline
2,4-dinitro-N-(prop-2-yn-1-yl)aniline
Compound characteristics
| Compound ID: | 1165-0561 |
| Compound Name: | 2,4-dinitro-N-(prop-2-yn-1-yl)aniline |
| Molecular Weight: | 221.17 |
| Molecular Formula: | C9 H7 N3 O4 |
| Smiles: | C#CCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0856 |
| logD: | 2.0856 |
| logSw: | -2.6763 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.35 |
| InChI Key: | MVSHOHFTBBBTLR-UHFFFAOYSA-N |