| CAS Number | 332419-75-7 |
| Catalog Number | AG01FARR(AGN-PC-0NL40H) |
| Chemical Name | 6-Bromo-2-(4-nitrophenyl)-3H-imidazo[4,5-b]pyridine |
| IUPAC Name | 6-bromo-2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine |
| InChI | InChI=1S/C12H7BrN4O2/c13-8-5-10-12(14-6-8)16-11(15-10)7-1-3-9(4-2-7)17(18)19/h1-6H,(H,14,15,16) |
| InChI Key | MHFSRMPSKPLZSA-UHFFFAOYSA-N |
| MDL Number | MFCD26396297 |
| Molecular Formula | C12H7BrN4O2 |
| Molecular Weight | 319.1136 |
| SMILES | Brc1cnc2c(c1)nc([nH]2)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 6-Bromo-2-(4-nitrophenyl)-3H-imidazo[4,5-b]pyridine,
332419-75-7,
5-Bromo-2-(4-nitrophenyl)-7-azabenzimidazole,
SCHEMBL4833915,
MHFSRMPSKPLZSA-UHFFFAOYSA-N,
ZINC102579102,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.118g/mol |
| Monoisotopic Mass | 317.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number