| CAS Number | 1240526-82-2 |
| Catalog Number | AG01A8CA(AGN-PC-0WO716) |
| Chemical Name | 2,4-dichloro-1-methyl-1H-imidazole-5-carbaldehyde |
| IUPAC Name | 2,5-dichloro-3-methylimidazole-4-carbaldehyde |
| InChI | InChI=1S/C5H4Cl2N2O/c1-9-3(2-10)4(6)8-5(9)7/h2H,1H3 |
| InChI Key | CUOLFBAFYAPUNZ-UHFFFAOYSA-N |
| MDL Number | MFCD16622027 |
| Molecular Formula | C5H4Cl2N2O |
| Molecular Weight | 179.0041 |
| SMILES | CN1C(C=O)=C(Cl)N=C1Cl |
| Synonyms | 2,4-dichloro-1-methyl-1H-imidazole-5-carbaldehyde,
1240526-82-2,
AC1Q3Y2Z,
ZINC57217631,
AKOS023413118,
MCULE-6202400187,
1-methyl-2,4-dichloro-5-formylimidazole,
EN300-61285,
1H-Imidazole-5-carboxaldehyde, 2,4-dichloro-1-methyl-,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179g/mol |
| Monoisotopic Mass | 177.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number