| CAS Number | 1249382-59-9 |
| Catalog Number | AG01BCRE |
| Chemical Name | 4-(1H-imidazol-1-yl)-2-methylbenzaldehyde |
| IUPAC Name | 4-imidazol-1-yl-2-methylbenzaldehyde |
| InChI | InChI=1S/C11H10N2O/c1-9-6-11(3-2-10(9)7-14)13-5-4-12-8-13/h2-8H,1H3 |
| InChI Key | SGYGODVXSYCHSU-UHFFFAOYSA-N |
| MDL Number | MFCD16686632 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | CC1=C(C=O)C=CC(N2C=NC=C2)=C1 |
| Synonyms | 4-(1H-imidazol-1-yl)-2-methylbenzaldehyde,
1249382-59-9,
AKOS011416022,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.214g/mol |
| Monoisotopic Mass | 186.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number