| CAS Number | 1159811-36-5 |
| Catalog Number | AG01B9W5 |
| Chemical Name | 6-Bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid |
| IUPAC Name | 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H4BrN3O2/c8-4-1-2-5-9-6(7(12)13)10-11(5)3-4/h1-3H,(H,12,13) |
| InChI Key | KRMYPFQROFUWFQ-UHFFFAOYSA-N |
| MDL Number | MFCD12400861 |
| Molecular Formula | C7H4BrN3O2 |
| Molecular Weight | 242.0296 |
| SMILES | BrC=1C=CC=2N(C1)N=C(N2)C(=O)O |
| Synonyms | 6-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-2-CARBOXYLIC ACID,
1159811-36-5,
AKOS023587073,
AB65442,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.94869g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.03g/mol |
| Monoisotopic Mass | 240.94869g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number