| CAS Number | 2060063-22-9 |
| Catalog Number | AG01BRLS |
| Chemical Name | 3-(3-fluorophenyl)-1H-pyrazole hydrochloride |
| IUPAC Name | 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride |
| InChI | InChI=1S/C9H7FN2.ClH/c10-8-3-1-2-7(6-8)9-4-5-11-12-9;/h1-6H,(H,11,12);1H |
| InChI Key | BAPXOFLYPHWDHU-UHFFFAOYSA-N |
| MDL Number | MFCD30535796 |
| Molecular Formula | C9H8ClFN2 |
| Molecular Weight | 198.6246 |
| SMILES | Cl.FC1=CC(C2=NNC=C2)=CC=C1 |
| Synonyms | 3-(3-fluorophenyl)-1H-pyrazole hydrochloride,
2060063-22-9,
Z2738925063,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.625g/mol |
| Monoisotopic Mass | 198.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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