| CAS Number | 1428532-78-8 |
| Catalog Number | AG00A011(AGN-PC-0WQX2O) |
| Chemical Name | 6-Bromo-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| IUPAC Name | 6-bromo-8-(trifluoromethyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChI | InChI=1S/C7H3BrF3N3O/c8-3-1-4(7(9,10)11)5-12-13-6(15)14(5)2-3/h1-2H,(H,13,15) |
| InChI Key | DQAJFDKAHCIBDX-UHFFFAOYSA-N |
| MDL Number | MFCD23701115 |
| Molecular Formula | C7H3BrF3N3O |
| Molecular Weight | 282.0174 |
| SMILES | BrC=1C=C(C=2N(C1)C(NN2)=O)C(F)(F)F |
| Synonyms | 1428532-78-8,
6-Bromo-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one,
SCHEMBL20772376,
MFCD23701115,
ZINC95616399,
AKOS027424991,
6-bromo-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one, 95% - 1G 1g,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.02g/mol |
| Monoisotopic Mass | 280.941g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number