| CAS Number | 1227465-70-4 |
| Catalog Number | AG009DYY(AGN-PC-0WB5VG) |
| Chemical Name | 3-bromo-5,6-dimethyl-2(1H)-pyridinone |
| IUPAC Name | 3-bromo-5,6-dimethyl-1H-pyridin-2-one |
| InChI | InChI=1S/C7H8BrNO/c1-4-3-6(8)7(10)9-5(4)2/h3H,1-2H3,(H,9,10) |
| InChI Key | STAHIKKWPLWAEU-UHFFFAOYSA-N |
| MDL Number | MFCD16556144 |
| Molecular Formula | C7H8BrNO |
| Molecular Weight | 202.0485 |
| SMILES | BrC=1C(NC(=C(C1)C)C)=O |
| Synonyms | 1227465-70-4,
3-Bromo-5,6-dimethyl-2(1H)pyridinone,
3-BROMO-5,6-DIMETHYL-2(1H)-PYRIDINONE,
3-Bromo-5,6-dimethylpyridin-2(1H)-one,
SCHEMBL15195556,
ZX-CM009355,
MFCD16556144,
ZINC49584980,
AKOS022185656,
FCH1343360,
MCULE-9337338188,
AJ-111223,
Y-7693,
3-bromo-5,6-dimethyl-2(1H)-pyridinone(SALTDATA,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.051g/mol |
| Monoisotopic Mass | 200.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number