| CAS Number | 1781909-10-1 |
| Catalog Number | AG01DTDH |
| Chemical Name | 1-bromo-5H,6H,7H,8H-imidazo[1,5-a]pyridine-3-carboxylic acid |
| IUPAC Name | 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H2,(H,12,13) |
| InChI Key | GUWDASFJHMNMMP-UHFFFAOYSA-N |
| MDL Number | MFCD29079559 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | BrC=1N=C(N2C1CCCC2)C(=O)O |
| Synonyms | 1-bromo-5H,6H,7H,8H-imidazo[1,5-a]pyridine-3-carboxylic acid,
1781909-10-1,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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