| CAS Number | 1152536-04-3 |
| Catalog Number | AG01A6B3 |
| Chemical Name | 1-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H9FN2O2/c1-7-6-8(12)2-3-10(7)14-5-4-9(13-14)11(15)16/h2-6H,1H3,(H,15,16) |
| InChI Key | QUPGXFAIRJFVSK-UHFFFAOYSA-N |
| MDL Number | MFCD11193622 |
| Molecular Formula | C11H9FN2O2 |
| Molecular Weight | 220.1998 |
| SMILES | CC1=C(N2N=C(C(O)=O)C=C2)C=CC(F)=C1 |
| Synonyms | 1-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxylic acid,
1152536-04-3,
ZINC20475903,
AKOS009260944,
NE32119,
|
| 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 | 2.2 |
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