| CAS Number | 2098794-95-5 |
| Catalog Number | AG01DW7T |
| Chemical Name | 1-(Difluoromethyl)-1H-imidazole-4-carboxylic acid |
| IUPAC Name | 1-(difluoromethyl)imidazole-4-carboxylic acid |
| InChI | InChI=1S/C5H4F2N2O2/c6-5(7)9-1-3(4(10)11)8-2-9/h1-2,5H,(H,10,11) |
| InChI Key | WHISGEJHNNSDQN-UHFFFAOYSA-N |
| MDL Number | MFCD31617230 |
| Molecular Formula | C5H4F2N2O2 |
| Molecular Weight | 162.0943 |
| SMILES | OC(C1N=CN(C(F)F)C=1)=O |
| Synonyms | 1-(difluoromethyl)-1H-imidazole-4-carboxylic acid,
2098794-95-5,
AKOS034170883,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.096g/mol |
| Monoisotopic Mass | 162.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number