| CAS Number | 103968-59-8 |
| Catalog Number | AG01C2HA(AGN-PC-00NIPP) |
| Chemical Name | ethyl 2-bromo-1,5-dimethyl-1H-imidazole-4-carboxylate |
| IUPAC Name | ethyl 2-bromo-1,5-dimethylimidazole-4-carboxylate |
| InChI | InChI=1S/C8H11BrN2O2/c1-4-13-7(12)6-5(2)11(3)8(9)10-6/h4H2,1-3H3 |
| InChI Key | MBPPCVWOILHKML-UHFFFAOYSA-N |
| MDL Number | MFCD26528702 |
| Molecular Formula | C8H11BrN2O2 |
| Molecular Weight | 247.0891 |
| SMILES | CCOC(C1=C(C)N(C)C(Br)=N1)=O |
| Synonyms | ethyl 2-bromo-1,5-dimethyl-1h-imidazole-4-carboxylate,
103968-59-8,
SCHEMBL3369577,
ZINC95946486,
AKOS033578921,
MCULE-7938852598,
Z1749703974,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.092g/mol |
| Monoisotopic Mass | 246g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number