| CAS Number | 879996-73-3 |
| Catalog Number | AG008E2I(AGN-PC-0OLECB) |
| Chemical Name | 3-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7FN2O2/c11-8-4-2-1-3-6(8)9-7(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15) |
| InChI Key | FWGJQQSTZGBXSI-UHFFFAOYSA-N |
| MDL Number | MFCD07367331 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.1732 |
| SMILES | c1ccc(c(c1)c2c(c[nH]n2)C(=O)O)F |
| Synonyms | 879996-73-3,
3-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID,
3-(2-FLUOROPHENYL)-PYRAZOLE-4-CARBOXYLIC ACID,
CTK5F9259,
KS-00001OJU,
DTXSID60479733,
ZINC8700073,
MFCD07367331,
AKOS003672569,
MCULE-1646103571,
AJ-71245,
Y-3835,
5-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid,
Z1381260447,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.176g/mol |
| Monoisotopic Mass | 206.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number