| CAS Number | 1597172-98-9 |
| Catalog Number | AG01FM85(AGN-PC-3H5MC0) |
| Chemical Name | 1-(2,2-DIFLUOROETHYL)-1H-PYRAZOL-4-OL |
| IUPAC Name | 1-(2,2-difluoroethyl)pyrazol-4-ol |
| InChI | InChI=1S/C5H6F2N2O/c6-5(7)3-9-2-4(10)1-8-9/h1-2,5,10H,3H2 |
| InChI Key | QJXRBBINZQXWEY-UHFFFAOYSA-N |
| MDL Number | MFCD30483654 |
| Molecular Formula | C5H6F2N2O |
| Molecular Weight | 148.1107 |
| SMILES | FC(F)CN1C=C(O)C=N1 |
| Synonyms | 1-(2,2-difluoroethyl)-1H-pyrazol-4-ol,
ZINC161880110,
A1-13342,
F2147-7788,
1597172-98-9,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.113g/mol |
| Monoisotopic Mass | 148.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number