| CAS Number | 107344-63-8 |
| Catalog Number | AG019K4D(AGN-PC-0OX4TJ) |
| Chemical Name | 2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol |
| IUPAC Name | 2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol |
| InChI | InChI=1S/C6H7F3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-4,12H,1H3 |
| InChI Key | VCWWANSAFLSDNW-UHFFFAOYSA-N |
| MDL Number | MFCD08264986 |
| Molecular Formula | C6H7F3N2O |
| Molecular Weight | 180.1278 |
| SMILES | CN1C(C(C(F)(F)F)O)=NC=C1 |
| Synonyms | 107344-63-8,
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol,
1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)imidazole,
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethanol,
AC1Q3YYD,
SCHEMBL344427,
CTK6I3315,
VCWWANSAFLSDNW-UHFFFAOYSA-N,
AKOS009096773,
NE50217,
EN300-25492,
Z199468082,
|
| Complexity | 161 |
| 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 | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number