| CAS Number | 881668-91-3 |
| Catalog Number | AG019TLW(AGN-PC-0OLI57) |
| Chemical Name | 4-fluoro-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-fluoro-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C4H3FN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9) |
| InChI Key | WCXNFMBCBLMCDP-UHFFFAOYSA-N |
| MDL Number | MFCD19229949 |
| Molecular Formula | C4H3FN2O2 |
| Molecular Weight | 130.0772 |
| SMILES | C1=NNC(=C1F)C(=O)O |
| Synonyms | 4-fluoro-1H-pyrazole-3-carboxylic acid,
4-fluoropyrazole-3-carboxylic acid,
881668-91-3,
SCHEMBL3979218,
WCXNFMBCBLMCDP-UHFFFAOYSA-N,
ZINC95870698,
AKOS006376365,
Z2510259415,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.078g/mol |
| Monoisotopic Mass | 130.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number