| CAS Number | 1027991-91-8 |
| Catalog Number | AG019YLK(AGN-PC-0WBEL6) |
| Chemical Name | 5-Fluoro-1,3-dimethyl-1H-pyrazole-4-carboxylic Acid |
| IUPAC Name | 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C6H7FN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11) |
| InChI Key | HTMQNNFTTWLPIE-UHFFFAOYSA-N |
| MDL Number | MFCD20659165 |
| Molecular Formula | C6H7FN2O2 |
| Molecular Weight | 158.1304 |
| SMILES | CC1C(C(O)=O)=C(F)N(C)N=1 |
| Synonyms | 5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxylic acid,
1027991-91-8,
SCHEMBL2721935,
HTMQNNFTTWLPIE-UHFFFAOYSA-N,
MFCD20659165,
ZINC66452795,
AKOS024051249,
FCH1239586,
MCULE-2955630469,
EN300-102006,
CID11367149,
5-fluoro-1,3-dimethyl-pyrazole-4-carboxylic Acid,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.132g/mol |
| Monoisotopic Mass | 158.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number