| CAS Number | 869002-62-0 |
| Catalog Number | AG01BEOK(AGN-PC-0ALR08) |
| Chemical Name | 2-chloro-1-methyl-1H-imidazole-5-carbaldehyde |
| IUPAC Name | 2-chloro-3-methylimidazole-4-carbaldehyde |
| InChI | InChI=1S/C5H5ClN2O/c1-8-4(3-9)2-7-5(8)6/h2-3H,1H3 |
| InChI Key | HCGHEXVFRVANBC-UHFFFAOYSA-N |
| MDL Number | MFCD10696273 |
| Molecular Formula | C5H5ClN2O |
| Molecular Weight | 144.5590 |
| SMILES | CN1C(C=O)=CN=C1Cl |
| Synonyms | 2-CHLORO-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE,
869002-62-0,
SCHEMBL3533339,
ZINC95756657,
AKOS006305537,
AB56928,
2-CHLORO-3-METHYL-3H-IMIDAZOLE-4-CARBALDEHYDE,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.558g/mol |
| Monoisotopic Mass | 144.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number