| CAS Number | 1312440-88-2 |
| Catalog Number | AG009DDG(AGN-PC-0WR0LT) |
| Chemical Name | 2-BROMO-5-CHLORO-3-FLUORO-1-METHYLPYRIDIN-4(1H)-ONE |
| IUPAC Name | 2-bromo-5-chloro-3-fluoro-1-methylpyridin-4-one |
| InChI | InChI=1S/C6H4BrClFNO/c1-10-2-3(8)5(11)4(9)6(10)7/h2H,1H3 |
| InChI Key | QGRQBLKTRVDTHW-UHFFFAOYSA-N |
| MDL Number | MFCD19288879 |
| Molecular Formula | C6H4BrClFNO |
| Molecular Weight | 240.4575 |
| SMILES | Cn1cc(Cl)c(=O)c(c1Br)F |
| Synonyms | 2-Bromo-5-chloro-3-fluoro-1-methylpyridin-4(1H)-one,
1312440-88-2,
ZINC66322930,
C-0186,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.456g/mol |
| Monoisotopic Mass | 238.915g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number