| CAS Number | 1428532-90-4 |
| Catalog Number | AG00HWPL(AGN-PC-0WQX3S) |
| Chemical Name | 8-Bromo-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| IUPAC Name | 8-bromo-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChI | InChI=1S/C7H6BrN3O/c1-4-2-5(8)6-9-10-7(12)11(6)3-4/h2-3H,1H3,(H,10,12) |
| InChI Key | MLCZFBJAGPGWML-UHFFFAOYSA-N |
| MDL Number | MFCD23701112 |
| Molecular Formula | C7H6BrN3O |
| Molecular Weight | 228.0460 |
| SMILES | Cc1cc(c2n[nH]c(=O)n2c1)Br |
| Synonyms | 8-Bromo-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one,
1428532-90-4,
SCHEMBL20775404,
MFCD23701112,
ZINC95616396,
C-0355,
8-bromo-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one, 95% - 1G 1g,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.049g/mol |
| Monoisotopic Mass | 226.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number