| CAS Number | 1365271-54-0 |
| Catalog Number | AG009WWR(AGN-PC-0WAB2I) |
| Chemical Name | 5-Bromo-1-ethylbenzoimidazole HCl |
| IUPAC Name | 5-bromo-1-ethylbenzimidazole;hydrochloride |
| InChI | InChI=1S/C9H9BrN2.ClH/c1-2-12-6-11-8-5-7(10)3-4-9(8)12;/h3-6H,2H2,1H3;1H |
| InChI Key | TUYZTKRBGXSCCF-UHFFFAOYSA-N |
| MDL Number | MFCD21609567 |
| Molecular Formula | C9H10BrClN2 |
| Molecular Weight | 261.5461 |
| SMILES | CCn1cnc2c1ccc(c2)Br.Cl |
| Synonyms | 5-Bromo-1-ethylbenzoimidazole HCl,
1365271-54-0,
MFCD21609567,
AKOS026672922,
5-Bromo-1-ethylbenzoimidazole hydrochloride,
V2554,
C9H10BrClN2,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.547g/mol |
| Monoisotopic Mass | 259.972g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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