| CAS Number | 1788613-48-8 |
| Catalog Number | AG01BFXO |
| Chemical Name | 3-(2-Fluorophenyl)-1H-pyrazol-4-amine dihydrochloride |
| IUPAC Name | 5-(2-fluorophenyl)-1H-pyrazol-4-amine;dihydrochloride |
| InChI | InChI=1S/C9H8FN3.2ClH/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9;;/h1-5H,11H2,(H,12,13);2*1H |
| InChI Key | MVCLKYPYSFWQHA-UHFFFAOYSA-N |
| MDL Number | MFCD28118757 |
| Molecular Formula | C9H10Cl2FN3 |
| Molecular Weight | 250.1002 |
| SMILES | NC1=CNN=C1C2=CC=CC=C2F.[H]Cl.[H]Cl |
| Synonyms | 3-(2-fluorophenyl)-1H-pyrazol-4-amine dihydrochloride,
1788613-48-8,
Z1907760169,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.098g/mol |
| Monoisotopic Mass | 249.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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