| CAS Number | 79326-91-3 |
| Catalog Number | AG00GAIL(AGN-PC-0WAA13) |
| Chemical Name | 4-Bromo-1-methyl-1H-imidazole-2-carbaldehyde |
| IUPAC Name | 4-bromo-1-methylimidazole-2-carbaldehyde |
| InChI | InChI=1S/C5H5BrN2O/c1-8-2-4(6)7-5(8)3-9/h2-3H,1H3 |
| InChI Key | AKEVNYPMPMIJPW-UHFFFAOYSA-N |
| MDL Number | MFCD22420225 |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.0100 |
| SMILES | O=CC1=NC(Br)=CN1C |
| Synonyms | 4-Bromo-1-methyl-1H-imidazole-2-carbaldehyde,
79326-91-3,
1H-Imidazole-2-carboxaldehyde, 4-bromo-1-methyl-,
SCHEMBL2037213,
AKEVNYPMPMIJPW-UHFFFAOYSA-N,
MFCD22420225,
ZINC75578940,
FCH1642546,
CS-0060045,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number