| CAS Number | 77458-31-2 |
| Catalog Number | AG00ICUX(AGN-PC-00K09W) |
| Chemical Name | 1-(4-Fluorophenyl)-1H-pyrazol-4-ol |
| IUPAC Name | 1-(4-fluorophenyl)pyrazol-4-ol |
| InChI | InChI=1S/C9H7FN2O/c10-7-1-3-8(4-2-7)12-6-9(13)5-11-12/h1-6,13H |
| InChI Key | QRZKTHXGLQTSDM-UHFFFAOYSA-N |
| MDL Number | MFCD23111092 |
| Molecular Formula | C9H7FN2O |
| Molecular Weight | 178.1631 |
| SMILES | Fc1ccc(cc1)n1ncc(c1)O |
| Synonyms | 1-(4-fluorophenyl)-1H-pyrazol-4-ol,
77458-31-2,
SCHEMBL2413135,
ZINC39334327,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.166g/mol |
| Monoisotopic Mass | 178.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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