| CAS Number | 1820707-72-9 |
| Catalog Number | AG00I0Z3(AGN-PC-0WQZSD) |
| Chemical Name | 1-[5-(Trifluoromethyl)pyrazol-1-yl]propan-2-ol |
| IUPAC Name | 1-[5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol |
| InChI | InChI=1S/C7H9F3N2O/c1-5(13)4-12-6(2-3-11-12)7(8,9)10/h2-3,5,13H,4H2,1H3 |
| InChI Key | QKJPJHYJGQYIBG-UHFFFAOYSA-N |
| MDL Number | MFCD28127186 |
| Molecular Formula | C7H9F3N2O |
| Molecular Weight | 194.1544 |
| SMILES | CC(Cn1nccc1C(F)(F)F)O |
| Synonyms | 1-[5-(TRIFLUOROMETHYL)PYRAZOL-1-YL]PROPAN-2-OL,
1820707-72-9,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.157g/mol |
| Monoisotopic Mass | 194.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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