| CAS Number | 1360954-62-6 |
| Catalog Number | AG01FGWE(AGN-PC-0WCMZC) |
| Chemical Name | 4-BROMO-6-METHOXY-1H-BENZIMIDAZOLE |
| IUPAC Name | 4-bromo-6-methoxy-1H-benzimidazole |
| InChI | InChI=1S/C8H7BrN2O/c1-12-5-2-6(9)8-7(3-5)10-4-11-8/h2-4H,1H3,(H,10,11) |
| InChI Key | AAESOAJUKHUHAR-UHFFFAOYSA-N |
| MDL Number | MFCD22558067 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | COc1cc(Br)c2c(c1)[nH]cn2 |
| Synonyms | 7-bromo-5-methoxy-1H-benzo[d]imidazole,
1360954-62-6,
4-Bromo-6-methoxy-1H-benzimidazole,
7-bromo-5-methoxy-1H-benzimidazole,
AKOS025136063,
ZINC226342529,
FCH2284152,
PS-11594,
1H-Benzimidazole, 7-bromo-5-methoxy-,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.97418g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.06g/mol |
| Monoisotopic Mass | 225.97418g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number