| CAS Number | 135206-92-7 |
| Catalog Number | AG01A9ZQ(AGN-PC-0WO4EG) |
| Chemical Name | [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methanol |
| IUPAC Name | [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol |
| InChI | InChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-1-10-5(11)3-12/h1-2,12H,3-4H2 |
| InChI Key | WPMIPIPCGHAJNZ-UHFFFAOYSA-N |
| MDL Number | MFCD16817512 |
| Molecular Formula | C6H7F3N2O |
| Molecular Weight | 180.1278 |
| SMILES | OCC1N(CC(F)(F)F)C=CN=1 |
| Synonyms | [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methanol,
135206-92-7,
AC1Q7C4N,
SCHEMBL5657550,
WPMIPIPCGHAJNZ-UHFFFAOYSA-N,
ZINC57218513,
AKOS012250511,
NE33980,
EN300-66644,
2-hydroxymethyl-1-(2,2,2-trifluoroethyl)imidazole,
Z1258992678,
|
| 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 | 0.2 |
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Certificate of Analysis
Lot Number