| CAS Number | 1002107-33-6 |
| Catalog Number | AG01AIL4(AGN-PC-0WOCUI) |
| Chemical Name | 1-(4-bromophenyl)-2-methyl-1H-imidazole-5-carbaldehyde |
| IUPAC Name | 3-(4-bromophenyl)-2-methylimidazole-4-carbaldehyde |
| InChI | InChI=1S/C11H9BrN2O/c1-8-13-6-11(7-15)14(8)10-4-2-9(12)3-5-10/h2-7H,1H3 |
| InChI Key | HKEDBWZFCSHGQL-UHFFFAOYSA-N |
| MDL Number | MFCD19381870 |
| Molecular Formula | C11H9BrN2O |
| Molecular Weight | 265.106 |
| SMILES | CC1N(C2=CC=C(Br)C=C2)C(C=O)=CN=1 |
| Synonyms | 1-(4-bromophenyl)-2-methyl-1H-imidazole-5-carbaldehyde,
1002107-33-6,
ZINC68592348,
NE48641,
EN300-78136,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.11g/mol |
| Monoisotopic Mass | 263.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number