| CAS Number | 916344-85-9 |
| Catalog Number | AG01DWUJ |
| Chemical Name | 5-bromo-1-ethyl-3-methyl-1,2-dihydropyridin-2-one |
| IUPAC Name | 5-bromo-1-ethyl-3-methylpyridin-2-one |
| InChI | InChI=1S/C8H10BrNO/c1-3-10-5-7(9)4-6(2)8(10)11/h4-5H,3H2,1-2H3 |
| InChI Key | XHZKBTUKZWZCDU-UHFFFAOYSA-N |
| MDL Number | MFCD25585752 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | CCN1C(=O)C(C)=CC(Br)=C1 |
| Synonyms | 916344-85-9,
5-bromo-1-ethyl-3-methyl-1,2-dihydropyridin-2-one,
5-bromo-1-ethyl-3-methylpyridin-2(1H)-one,
2(1H)-Pyridinone, 5-bromo-1-ethyl-3-methyl-,
SCHEMBL589113,
XHZKBTUKZWZCDU-UHFFFAOYSA-N,
AKOS016555079,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number