| CAS Number | 1060817-70-0 |
| Catalog Number | AG008V94(AGN-PC-0WB5F5) |
| Chemical Name | 5-Bromo-4-methyl-2-(4H-1,2,4-triazol-4-YL)pyridine |
| IUPAC Name | 5-bromo-4-methyl-2-(1,2,4-triazol-4-yl)pyridine |
| InChI | InChI=1S/C8H7BrN4/c1-6-2-8(10-3-7(6)9)13-4-11-12-5-13/h2-5H,1H3 |
| InChI Key | PXTPQENZOXPXJD-UHFFFAOYSA-N |
| MDL Number | MFCD11054014 |
| Molecular Formula | C8H7BrN4 |
| Molecular Weight | 239.0720 |
| SMILES | N1(C=NN=C1)C1C=C(C)C(=CN=1)Br |
| Synonyms | 5-BROMO-4-METHYL-2-(4H-1,2,4-TRIAZOL-4-YL)PYRIDINE,
1060817-70-0,
CTK4A4389,
DTXSID20651033,
ZX-CM007809,
FCH933423,
MFCD11054014,
ZINC19093367,
AKOS006339538,
MCULE-5109889800,
AJ-72130,
Y-6608,
5-bromo-4-methyl-2-(4H-1,2,4-triazol-4-yl)pyridine(SALTDATA,
|
| 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