3,5-dibromo-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3,5-dibromo-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
3,5-dibromo-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0986-0278 |
| Compound Name: | 3,5-dibromo-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 494.96 |
| Molecular Formula: | C14 H11 Br2 N2 O3 |
| Salt: | Br- |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(C[n+]1cc(cc(c1)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5327 |
| logD: | 4.5327 |
| logSw: | -4.3325 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.145 |
| InChI Key: | UCHTZIQOFSGPQN-UHFFFAOYSA-N |