| CAS Number | 1216001-04-5 |
| Catalog Number | AG01AOX6(AGN-PC-0WBF27) |
| Chemical Name | (1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol |
| IUPAC Name | [1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol |
| InChI | InChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-5(3-12)1-10-11/h1-2,12H,3-4H2 |
| InChI Key | UJYFXPDZQGCXPH-UHFFFAOYSA-N |
| MDL Number | MFCD13188372 |
| Molecular Formula | C6H7F3N2O |
| Molecular Weight | 180.1278 |
| SMILES | OCC1=CN(CC(F)(F)F)N=C1 |
| Synonyms | 1216001-04-5,
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol,
[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methanol,
MFCD13188372,
ZINC40544227,
AKOS012023275,
F8883-1612,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.13g/mol |
| Monoisotopic Mass | 180.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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