| CAS Number | 79326-89-9 |
| Catalog Number | AG00G9LU(AGN-PC-0WA67A) |
| Chemical Name | 2-Bromo-1-methylimidazole-5-carbaldehyde |
| IUPAC Name | 2-bromo-3-methylimidazole-4-carbaldehyde |
| InChI | InChI=1S/C5H5BrN2O/c1-8-4(3-9)2-7-5(8)6/h2-3H,1H3 |
| InChI Key | LKCRFFLSIUUVIB-UHFFFAOYSA-N |
| MDL Number | MFCD10696276 |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.0100 |
| SMILES | CN1C(C=O)=CN=C1Br |
| Synonyms | 2-BROMO-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE,
79326-89-9,
2-Bromo-1-methylimidazole-5-carbaldehyde,
2-bromo-3-methyl-3h-imidazole-4-carbaldehyde,
KM1966,
ZINC75578936,
AKOS006305756,
AB56934,
DA-03259,
AJ-121701,
V7789,
C5H5BrN2O,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.012g/mol |
| Monoisotopic Mass | 187.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number