| CAS Number | 1082766-52-6 |
| Catalog Number | AG0083V2(AGN-PC-0WB5GF) |
| Chemical Name | 5-Bromo-3-methyl-2-(4H-1,2,4-triazol-4-YL)pyridine |
| IUPAC Name | 5-bromo-3-methyl-2-(1,2,4-triazol-4-yl)pyridine |
| InChI | InChI=1S/C8H7BrN4/c1-6-2-7(9)3-10-8(6)13-4-11-12-5-13/h2-5H,1H3 |
| InChI Key | BDDRADUUYBCZPW-UHFFFAOYSA-N |
| MDL Number | MFCD11505342 |
| Molecular Formula | C8H7BrN4 |
| Molecular Weight | 239.0720 |
| SMILES | N1(C=NN=C1)C1C(C)=CC(=CN=1)Br |
| Synonyms | 5-BROMO-3-METHYL-2-(4H-1,2,4-TRIAZOL-4-YL)PYRIDINE,
1082766-52-6,
CTK4A5951,
DTXSID00652008,
ZX-CM008002,
FCH933439,
MFCD11505342,
ZINC21953402,
AKOS006340962,
MCULE-7297066396,
AJ-78774,
Y-6788,
4034410-25G,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.076g/mol |
| Monoisotopic Mass | 237.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number