| CAS Number | 1263178-10-4 |
| Catalog Number | AG01BGO6(AGN-PC-0WOREQ) |
| Chemical Name | 1-(Difluoromethyl)-2-oxo-1,2-dihydropyridine-3-carbaldehyde |
| IUPAC Name | 1-(difluoromethyl)-2-oxopyridine-3-carbaldehyde |
| InChI | InChI=1S/C7H5F2NO2/c8-7(9)10-3-1-2-5(4-11)6(10)12/h1-4,7H |
| InChI Key | BKXVCHDSFMKENH-UHFFFAOYSA-N |
| MDL Number | MFCD18791578 |
| Molecular Formula | C7H5F2NO2 |
| Molecular Weight | 173.1169 |
| SMILES | FC(N1C(=O)C(C=O)=CC=C1)F |
| Synonyms | 1-(difluoromethyl)-2-oxo-1,2-dihydropyridine-3-carbaldehyde,
1263178-10-4,
ZINC98210186,
AKOS026741701,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.119g/mol |
| Monoisotopic Mass | 173.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number