| CAS Number | 1152602-54-4 |
| Catalog Number | AG019YGO |
| Chemical Name | 1-(4-Fluoro-2-methylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H9FN2O3/c1-6-4-7(12)2-3-8(6)14-5-9(15)10(13-14)11(16)17/h2-5,15H,1H3,(H,16,17) |
| InChI Key | VWFCSOSUIHOLNF-UHFFFAOYSA-N |
| MDL Number | MFCD11101753 |
| Molecular Formula | C11H9FN2O3 |
| Molecular Weight | 236.1992 |
| SMILES | CC1=C(N2N=C(C(O)=O)C(O)=C2)C=CC(F)=C1 |
| Synonyms | 1-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid,
1152602-54-4,
ZINC34959264,
AKOS009289471,
MCULE-5213313435,
NE18950,
RP28226,
Z1350606416,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.202g/mol |
| Monoisotopic Mass | 236.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number