| CAS Number | 1551135-48-8 |
| Catalog Number | AG01DVMQ |
| Chemical Name | 1-(2,2-difluoroethyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid |
| IUPAC Name | 1-(2,2-difluoroethyl)-2-oxopyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H7F2NO3/c9-6(10)4-11-2-1-5(8(13)14)3-7(11)12/h1-3,6H,4H2,(H,13,14) |
| InChI Key | WQCMQHMYKKUFTM-UHFFFAOYSA-N |
| MDL Number | MFCD24326449 |
| Molecular Formula | C8H7F2NO3 |
| Molecular Weight | 203.1429 |
| SMILES | OC(C1=CC(=O)N(CC(F)F)C=C1)=O |
| Synonyms | 1-(2,2-difluoroethyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid,
1551135-48-8,
AKOS021222890,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.145g/mol |
| Monoisotopic Mass | 203.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number