| CAS Number | 89218-87-1 |
| Catalog Number | AG01A71Y(AGN-PC-0VOOIK) |
| Chemical Name | 5-Bromo-2-(chloromethyl)-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 6-bromo-2-(chloromethyl)-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C8H6BrClN2.ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;/h1-3H,4H2,(H,11,12);1H |
| InChI Key | XLZRQNZCAVFSNC-UHFFFAOYSA-N |
| MDL Number | MFCD25970511 |
| Molecular Formula | C8H7BrCl2N2 |
| Molecular Weight | 281.9646 |
| SMILES | Cl.BrC1=CC2=C(NC(=N2)CCl)C=C1 |
| Synonyms | 5-bromo-2-(chloromethyl)-1H-1,3-benzodiazole hydrochloride,
89218-87-1,
NE38799,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.962g/mol |
| Monoisotopic Mass | 279.917g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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