| CAS Number | 1152510-90-1 |
| Catalog Number | AG01EKAT |
| Chemical Name | 3-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-(3-fluorophenyl)-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H9FN2O2/c1-14-6-9(11(15)16)10(13-14)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,15,16) |
| InChI Key | ZVMCMFWSXRYFSG-UHFFFAOYSA-N |
| MDL Number | MFCD11180223 |
| Molecular Formula | C11H9FN2O2 |
| Molecular Weight | 220.1998 |
| SMILES | CN1N=C(C2=CC(F)=CC=C2)C(C(O)=O)=C1 |
| Synonyms | AKOS009307680,
3-(3-FLUOROPHENYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,
1152510-90-1,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.203g/mol |
| Monoisotopic Mass | 220.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number