| CAS Number | 1891260-51-7 |
| Catalog Number | AG01BUWM |
| Chemical Name | 2-chloro-1-methyl-1H-imidazole-5-carbonitrile |
| IUPAC Name | 2-chloro-3-methylimidazole-4-carbonitrile |
| InChI | InChI=1S/C5H4ClN3/c1-9-4(2-7)3-8-5(9)6/h3H,1H3 |
| InChI Key | UGLDFVJCWFNQJQ-UHFFFAOYSA-N |
| MDL Number | MFCD30345423 |
| Molecular Formula | C5H4ClN3 |
| Molecular Weight | 141.5584 |
| SMILES | CN1C(C#N)=CN=C1Cl |
| Synonyms | 2-Chloro-1-methyl-1H-imidazole-5-carbonitrile,
1891260-51-7,
ZINC258068823,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.558g/mol |
| Monoisotopic Mass | 141.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number