| CAS Number | 1795276-46-8 |
| Catalog Number | AG01BE62(AGN-PC-0WOWPS) |
| Chemical Name | 5-bromo-1-(2-oxopropyl)-1,2-dihydropyridin-2-one hydrochloride |
| IUPAC Name | 5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride |
| InChI | InChI=1S/C8H8BrNO2.ClH/c1-6(11)4-10-5-7(9)2-3-8(10)12;/h2-3,5H,4H2,1H3;1H |
| InChI Key | OOGVCWWLLIUDBT-UHFFFAOYSA-N |
| MDL Number | MFCD28118304 |
| Molecular Formula | C8H9BrClNO2 |
| Molecular Weight | 266.5196 |
| SMILES | Cl.CC(CN1C(=O)C=CC(Br)=C1)=O |
| Synonyms | 5-bromo-1-(2-oxopropyl)-1,2-dihydropyridin-2-one hydrochloride,
1795276-46-8,
AKOS026745345,
MCULE-7051493870,
Z1863617790,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.519g/mol |
| Monoisotopic Mass | 264.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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