| CAS Number | 1428532-83-5 |
| Catalog Number | AG00A054(AGN-PC-0WR0S4) |
| Chemical Name | 6-Bromo-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| IUPAC Name | 6-bromo-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChI | InChI=1S/C7H6BrN3O/c1-4-2-6-9-10-7(12)11(6)3-5(4)8/h2-3H,1H3,(H,10,12) |
| InChI Key | OSBMVOFCIXXFCZ-UHFFFAOYSA-N |
| MDL Number | MFCD23701111 |
| Molecular Formula | C7H6BrN3O |
| Molecular Weight | 228.0460 |
| SMILES | O=C1NN=C2C=C(C)C(Br)=CN21 |
| Synonyms | 6-Bromo-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one,
1428532-83-5,
SCHEMBL20772668,
MFCD23701111,
ZINC95616395,
C-0354,
6-bromo-7-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 | 0.4 |
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Certificate of Analysis
Lot Number