| CAS Number | 1420800-33-4 |
| Catalog Number | AG009WXL(AGN-PC-0WAC66) |
| Chemical Name | 7-Bromo-1-methyl-1,3-benzodiazole-5-carboxylic acid HCl |
| IUPAC Name | 7-bromo-1-methylbenzimidazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H7BrN2O2.ClH/c1-12-4-11-7-3-5(9(13)14)2-6(10)8(7)12;/h2-4H,1H3,(H,13,14);1H |
| InChI Key | GIICMIHDHIZYFG-UHFFFAOYSA-N |
| MDL Number | MFCD22689138 |
| Molecular Formula | C9H8BrClN2O2 |
| Molecular Weight | 291.5290 |
| SMILES | OC(=O)c1cc(Br)c2c(c1)ncn2C.Cl |
| Synonyms | 7-Bromo-1-methyl-1,3-benzodiazole-5-carboxylic acid HCl,
1420800-33-4,
C9H8BrClN2O2,
V3156,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.529g/mol |
| Monoisotopic Mass | 289.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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