| CAS Number | 2089325-93-7 |
| Catalog Number | AG01E9B8 |
| Chemical Name | 2-(bromomethyl)-1H-1,3-benzodiazole hydrobromide |
| IUPAC Name | 2-(bromomethyl)-1H-benzimidazole;hydrobromide |
| InChI | InChI=1S/C8H7BrN2.BrH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-4H,5H2,(H,10,11);1H |
| InChI Key | GOFXLXSUSJBDSX-UHFFFAOYSA-N |
| MDL Number | MFCD30528886 |
| Molecular Formula | C8H8Br2N2 |
| Molecular Weight | 291.9705 |
| SMILES | Br.BrCC1NC2=C(C=CC=C2)N=1 |
| Synonyms | 2-(Bromomethyl)-1H-benzo[d]imidazole hydrobromide,
2089325-93-7,
AKOS030624343,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.903g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.974g/mol |
| Monoisotopic Mass | 289.905g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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