| CAS Number | 777865-57-3 |
| Catalog Number | AG01AIKN(AGN-PC-00F4K9) |
| Chemical Name | 1-[(4-bromophenyl)methyl]-2-methyl-1H-imidazole |
| IUPAC Name | 1-[(4-bromophenyl)methyl]-2-methylimidazole |
| InChI | InChI=1S/C11H11BrN2/c1-9-13-6-7-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8H2,1H3 |
| InChI Key | GHUAUPIAGUEIHU-UHFFFAOYSA-N |
| MDL Number | MFCD14647733 |
| Molecular Formula | C11H11BrN2 |
| Molecular Weight | 251.1224 |
| SMILES | CC1N(CC2=CC=C(Br)C=C2)C=CN=1 |
| Synonyms | 1-[(4-bromophenyl)methyl]-2-methyl-1H-imidazole,
777865-57-3,
1H-Imidazole, 1-[(4-bromophenyl)methyl]-2-methyl-,
SCHEMBL17102309,
ZINC36373992,
AKOS009170218,
MCULE-8296904397,
NE36277,
EN300-78086,
1-(4-bromophenyl)methyl-2-methyl-1h-imidazole,
Z319544948,
CID11736832,
1-[(4-bromophenyl)methyl]-2-methyl-imidazole,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.127g/mol |
| Monoisotopic Mass | 250.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number