| CAS Number | 450841-30-2 |
| Catalog Number | AG01AC0F(AGN-PC-01NBX6) |
| Chemical Name | 5-Bromo-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile |
| IUPAC Name | 5-bromo-1,6-dimethyl-2-oxopyridine-3-carbonitrile |
| InChI | InChI=1S/C8H7BrN2O/c1-5-7(9)3-6(4-10)8(12)11(5)2/h3H,1-2H3 |
| InChI Key | JQTOEFNGSMKRJB-UHFFFAOYSA-N |
| MDL Number | MFCD26407819 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | CC1N(C)C(=O)C(C#N)=CC=1Br |
| Synonyms | 5-bromo-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile,
450841-30-2,
SCHEMBL5098831,
ZINC95829379,
AKOS025148526,
NE22343,
CS-0091405,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.061g/mol |
| Monoisotopic Mass | 225.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number