| CAS Number | 1046861-47-5 |
| Catalog Number | AG019QQS |
| Chemical Name | N-(2,2,2-trifluoroethyl)-1H-imidazole-1-carboxamide |
| IUPAC Name | N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide |
| InChI | InChI=1S/C6H6F3N3O/c7-6(8,9)3-11-5(13)12-2-1-10-4-12/h1-2,4H,3H2,(H,11,13) |
| InChI Key | IPENWKDFQGPYQR-UHFFFAOYSA-N |
| MDL Number | MFCD11099723 |
| Molecular Formula | C6H6F3N3O |
| Molecular Weight | 193.1265 |
| SMILES | FC(CNC(N1C=NC=C1)=O)(F)F |
| Synonyms | N-(2,2,2-trifluoroethyl)-1H-imidazole-1-carboxamide,
1046861-47-5,
AC1Q4K7N,
SCHEMBL13394197,
CTK7G3729,
IPENWKDFQGPYQR-UHFFFAOYSA-N,
ZINC32628638,
EN300-88199,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.129g/mol |
| Monoisotopic Mass | 193.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number