| CAS Number | 1020039-12-6 |
| Catalog Number | AG0006AS(AGN-PC-0WAC7K) |
| Chemical Name | 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 7-chloro- |
| IUPAC Name | 7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChI | InChI=1S/C6H4ClN3O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,(H,9,11) |
| InChI Key | RJGCGYRBLODQEG-UHFFFAOYSA-N |
| MDL Number | MFCD23701114 |
| Molecular Formula | C6H4ClN3O |
| Molecular Weight | 169.5685 |
| SMILES | ClC1=CC=2N(C=C1)C(NN2)=O |
| Synonyms | 7-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE,
1020039-12-6,
SCHEMBL20772757,
MFCD23701114,
ZINC95616398,
AKOS006310724,
7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-ol,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.568g/mol |
| Monoisotopic Mass | 169.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number