| CAS Number | 120640-83-7 |
| Catalog Number | AG00948F(AGN-PC-0WABV1) |
| Chemical Name | 6-Bromo-7-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine |
| IUPAC Name | 6-bromo-7-methyl-2H-triazolo[4,5-b]pyridine |
| InChI | InChI=1S/C6H5BrN4/c1-3-4(7)2-8-6-5(3)9-11-10-6/h2H,1H3,(H,8,9,10,11) |
| InChI Key | PTOZTBARCUGHCN-UHFFFAOYSA-N |
| MDL Number | MFCD23135973 |
| Molecular Formula | C6H5BrN4 |
| Molecular Weight | 213.0347 |
| SMILES | Brc1cnc2c(c1C)nn[nH]2 |
| Synonyms | 6-BROMO-7-METHYL-2H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE,
1086838-38-1,
6-Bromo-7-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine,
120640-83-7,
SCHEMBL203305,
ZINC95496097,
PB11533,
CS-0057269,
Z8245,
Q-1891,
6-bromo-7-methyl-2h-[1,2,3]triazolo[4,5-b]pyridine,
C6H5BrN4,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.038g/mol |
| Monoisotopic Mass | 211.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number