| CAS Number | 1598936-56-1 |
| Catalog Number | AG01FM6F(AGN-PC-3H5MA8) |
| Chemical Name | 1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-ol |
| IUPAC Name | 1-(2,2,2-trifluoroethyl)pyrazol-4-ol |
| InChI | InChI=1S/C5H5F3N2O/c6-5(7,8)3-10-2-4(11)1-9-10/h1-2,11H,3H2 |
| InChI Key | JRTWIXMEOBPWCP-UHFFFAOYSA-N |
| MDL Number | MFCD28149263 |
| Molecular Formula | C5H5F3N2O |
| Molecular Weight | 166.1012 |
| SMILES | FC(Cn1ncc(c1)O)(F)F |
| Synonyms | 1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-ol,
AKOS026733570,
1598936-56-1,
A1-08160,
F8885-7114,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.103g/mol |
| Monoisotopic Mass | 166.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number