| CAS Number | 1152602-19-1 |
| Catalog Number | AG018FUO(AGN-PC-0WOWSG) |
| Chemical Name | 1-(4-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H7FN2O3/c11-6-1-3-7(4-2-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16) |
| InChI Key | LRCSXWYNBZPFIC-UHFFFAOYSA-N |
| MDL Number | MFCD11133587 |
| Molecular Formula | C10H7FN2O3 |
| Molecular Weight | 222.1726 |
| SMILES | OC(C1C(O)=CN(C2=CC=C(F)C=C2)N=1)=O |
| Synonyms | 1-(4-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid,
1152602-19-1,
AC1Q746A,
1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid,
CTK7C0702,
ZINC26420984,
AKOS005207996,
MCULE-4929730445,
NE28388,
EN300-53955,
F2135-0486,
Z815264214,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.175g/mol |
| Monoisotopic Mass | 222.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number