| CAS Number | 1899934-22-5 |
| Catalog Number | AG01C321 |
| Chemical Name | 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid |
| IUPAC Name | 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid |
| InChI | InChI=1S/C7H4BrN3O2/c8-4-1-5(7(12)13)6-9-3-10-11(6)2-4/h1-3H,(H,12,13) |
| InChI Key | SUBAUVTYKQBKDD-UHFFFAOYSA-N |
| MDL Number | MFCD30497459 |
| Molecular Formula | C7H4BrN3O2 |
| Molecular Weight | 242.0296 |
| SMILES | C1=C(C2=NC=NN2C=C1Br)C(=O)O |
| Synonyms | 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid,
1899934-22-5,
SCHEMBL17650038,
SUBAUVTYKQBKDD-UHFFFAOYSA-N,
AKOS033971318,
ZINC307260528,
Z2670981070,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.032g/mol |
| Monoisotopic Mass | 240.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number