| CAS Number | 1779937-23-3 |
| Catalog Number | AG01AUDW |
| Chemical Name | 5-Fluoro-1-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 5-fluoro-1-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C5H5FN2O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,1H3,(H,9,10) |
| InChI Key | VDXUCVYJBQCWMK-UHFFFAOYSA-N |
| MDL Number | MFCD31616664 |
| Molecular Formula | C5H5FN2O2 |
| Molecular Weight | 144.1038 |
| SMILES | CN1C(F)=CC(C(O)=O)=N1 |
| Synonyms | 5-fluoro-1-methyl-1H-pyrazole-3-carboxylic acid,
1779937-23-3,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.105g/mol |
| Monoisotopic Mass | 144.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number