| CAS Number | 1803601-66-2 |
| Catalog Number | AG01BC7R |
| Chemical Name | 5-bromo-3-chloro-1-(difluoromethyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one |
| InChI | InChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(12)11(2-3)6(9)10/h1-2,6H |
| InChI Key | WRDYMDCPCPHWFN-UHFFFAOYSA-N |
| MDL Number | MFCD28714736 |
| Molecular Formula | C6H3BrClF2NO |
| Molecular Weight | 258.4479 |
| SMILES | FC(N1C(=O)C(Cl)=CC(Br)=C1)F |
| Synonyms | 5-bromo-3-chloro-1-(difluoromethyl)-1,2-dihydropyridin-2-one,
1803601-66-2,
ZINC238856634,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.447g/mol |
| Monoisotopic Mass | 256.905g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number