| CAS Number | 394203-58-8 |
| Catalog Number | AG018S2H(AGN-PC-0RJNI4) |
| Chemical Name | 2,2,2-Trifluoro-1-(pyridin-4-yl)ethan-1-ol |
| IUPAC Name | 2,2,2-trifluoro-1-pyridin-4-ylethanol |
| InChI | InChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-1-3-11-4-2-5/h1-4,6,12H |
| InChI Key | HWFCWJQZKAGODL-UHFFFAOYSA-N |
| MDL Number | MFCD16618051 |
| Molecular Formula | C7H6F3NO |
| Molecular Weight | 177.1238 |
| SMILES | FC(C(O)C1=CC=NC=C1)(F)F |
| Synonyms | 2,2,2-trifluoro-1-(pyridin-4-yl)ethan-1-ol,
394203-58-8,
4-(2,2,2-trifluoro-1-hydroxyethyl)pyridine,
2,2,2-trifluoro-1-pyridin-4-yl-ethanol,
SCHEMBL2334995,
HWFCWJQZKAGODL-UHFFFAOYSA-N,
AKOS014320491,
1-(4-Pyridyl)-2,2,2-trifluoroethanol,
4-Pyridinemethanol, a-(trifluoromethyl)-,
F8884-2308,
Z2473347725,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.126g/mol |
| Monoisotopic Mass | 177.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number