3,5-dibromo-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3,5-dibromo-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
3,5-dibromo-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0327-0306 |
| Compound Name: | 3,5-dibromo-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 480.94 |
| Molecular Formula: | C13 H9 Br2 N2 O3 |
| Salt: | Br- |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)[n+]1cc(cc(c1)[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1304 |
| logD: | 4.1304 |
| logSw: | -4.2799 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.446 |
| InChI Key: | GSKKJRKRKPUNES-UHFFFAOYSA-N |