| CAS Number | 1559067-54-7 |
| Catalog Number | AG00J2HU(AGN-PC-0WB5YC) |
| Chemical Name | 5-bromo-2-tert-butyl-1H-imidazole |
| IUPAC Name | 5-bromo-2-tert-butyl-1H-imidazole |
| InChI | InChI=1S/C7H11BrN2/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3,(H,9,10) |
| InChI Key | MEAHFTSCWFTUCC-UHFFFAOYSA-N |
| MDL Number | MFCD26940356 |
| Molecular Formula | C7H11BrN2 |
| Molecular Weight | 203.0796 |
| SMILES | C1(C(C)(C)C)=NC=C(Br)N1 |
| Synonyms | 5-bromo-2-tert-butyl-1H-imidazole,
1559067-54-7,
5-Bromo-2-(tert-butyl)-1H-imidazole,
SCHEMBL14383210,
SCHEMBL17962522,
ALBB-027652,
ZX-AN051905,
ZX-CM009717,
MFCD26940356,
ZINC95496189,
AKOS022186622,
FCH2487421,
A-6966,
1H-imidazole, 5-bromo-2-(1,1-dimethylethyl)-,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.083g/mol |
| Monoisotopic Mass | 202.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number