3-bromo-1-[2-(4-methylphenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-bromo-1-[2-(4-methylphenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
3-bromo-1-[2-(4-methylphenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0986-0261 |
| Compound Name: | 3-bromo-1-[2-(4-methylphenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1) |
| Molecular Weight: | 421.13 |
| Molecular Formula: | C18 H15 Br N O |
| Salt: | Br- |
| Smiles: | Cc1ccc(cc1)C(C[n+]1cc(cc2ccccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6299 |
| logD: | 4.6299 |
| logSw: | -5.0164 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 14.1991 |
| InChI Key: | XREVPVXTDKKQGY-UHFFFAOYSA-N |