| CAS Number | 1797380-36-9 |
| Catalog Number | AG01B1CE(AGN-PC-0WOVNX) |
| Chemical Name | 2,2-difluoro-2-(1-methyl-1H-imidazol-2-yl)ethan-1-ol |
| IUPAC Name | 2,2-difluoro-2-(1-methylimidazol-2-yl)ethanol |
| InChI | InChI=1S/C6H8F2N2O/c1-10-3-2-9-5(10)6(7,8)4-11/h2-3,11H,4H2,1H3 |
| InChI Key | RHSIXBRAPFUKHB-UHFFFAOYSA-N |
| MDL Number | MFCD28012193 |
| Molecular Formula | C6H8F2N2O |
| Molecular Weight | 162.1373 |
| SMILES | CN1C(C(CO)(F)F)=NC=C1 |
| Synonyms | 2,2-difluoro-2-(1-methyl-1H-imidazol-2-yl)ethan-1-ol,
1797380-36-9,
ZINC96300464,
AKOS026744653,
MCULE-1462969231,
Z1824497902,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.14g/mol |
| Monoisotopic Mass | 162.06g/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