| CAS Number | 1860877-05-9 |
| Catalog Number | AG01EKXN |
| Chemical Name | 2,2-difluoro-2-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)acetic acid |
| IUPAC Name | 2,2-difluoro-2-(1-methyl-6-oxopyridin-3-yl)acetic acid |
| InChI | InChI=1S/C8H7F2NO3/c1-11-4-5(2-3-6(11)12)8(9,10)7(13)14/h2-4H,1H3,(H,13,14) |
| InChI Key | VWYWTRKNSBHFEL-UHFFFAOYSA-N |
| MDL Number | MFCD31616145 |
| Molecular Formula | C8H7F2NO3 |
| Molecular Weight | 203.1429 |
| SMILES | CN1C(=O)C=CC(C(C(O)=O)(F)F)=C1 |
| Synonyms | 2,2-difluoro-2-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)acetic acid,
SCHEMBL17420468,
VWYWTRKNSBHFEL-UHFFFAOYSA-N,
AKOS034131288,
1860877-05-9,
|
| Complexity | 347 |
| 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 | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number