| CAS Number | 71045-44-8 |
| Catalog Number | AG019EVK(AGN-PC-0WD6VY) |
| Chemical Name | 5-bromo-1-methyl-2-phenylimidazole |
| IUPAC Name | 5-bromo-1-methyl-2-phenylimidazole |
| InChI | InChI=1S/C10H9BrN2/c1-13-9(11)7-12-10(13)8-5-3-2-4-6-8/h2-7H,1H3 |
| InChI Key | TVAYGQCZSIJSSF-UHFFFAOYSA-N |
| MDL Number | MFCD16987784 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | CN1C(Br)=CN=C1C2=CC=CC=C2 |
| Synonyms | 5-Bromo-1-methyl-2-phenyl-1H-imidazole,
71045-44-8,
5-bromo-1-methyl-2-phenylimidazole,
MFCD16987784,
AKOS024106691,
ZINC141171941,
1H-Imidazole, 5-bromo-1-methyl-2-phenyl-,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.1g/mol |
| Monoisotopic Mass | 235.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number