| CAS Number | 304679-75-2 |
| Catalog Number | AG00C4IY(AGN-PC-0MV6B1) |
| Chemical Name | 2-[2-(4-Bromophenyl)-2-oxoethyl]-1-methylpyridiniumiodide |
| IUPAC Name | 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone;iodide |
| InChI | InChI=1S/C14H13BrNO.HI/c1-16-9-3-2-4-13(16)10-14(17)11-5-7-12(15)8-6-11;/h2-9H,10H2,1H3;1H/q+1;/p-1 |
| InChI Key | LERUHBBUGAOYOD-UHFFFAOYSA-M |
| MDL Number | MFCD18086873 |
| Molecular Formula | C14H13BrINO |
| Molecular Weight | 418.0676 |
| SMILES | [I-].BrC1=CC=C(C=C1)C(CC1=[N+](C=CC=C1)C)=O |
| Synonyms | 2-(2-(4-bromophenyl)-2-oxoethyl)-1-methyl pyridinium,
S 24795,
304679-75-2,
S 24795,
2-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpyridiniumiodide,
2-[2-(4-Bromophenyl)-2-oxoethyl]-1-methylpyridinium iodide,
SCHEMBL5948853,
AKOS024457657,
API0014115,
S 24795, >=98% (HPLC),
LERUHBBUGAOYOD-UHFFFAOYSA-M,
CID9888248,
1-(4-bromophenyl)-2-(1-methylpyridin-6-yl)ethanone Iodide,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.072g/mol |
| Monoisotopic Mass | 416.923g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number