| CAS Number | 742096-93-1 |
| Catalog Number | AG00ICHT(AGN-PC-0U4R9S) |
| Chemical Name | 1-[3-(Trifluoromethyl)pyrazol-1-yl]propan-2-ol |
| IUPAC Name | 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol |
| InChI | InChI=1S/C7H9F3N2O/c1-5(13)4-12-3-2-6(11-12)7(8,9)10/h2-3,5,13H,4H2,1H3 |
| InChI Key | LFKCCYLSAIQNKN-UHFFFAOYSA-N |
| MDL Number | MFCD16065387 |
| Molecular Formula | C7H9F3N2O |
| Molecular Weight | 194.1544 |
| SMILES | CC(Cn1ccc(n1)C(F)(F)F)O |
| Synonyms | 1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol,
742096-93-1,
AKOS010896173,
1-(2-Hydroxypropyl)-3-(trifluoromethyl)-1H-pyrazole,
1H-Pyrazole-1-ethanol, a-methyl-3-(trifluoromethyl)-,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number