957062-65-6 Purity
98%
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The molecular formula is C7H6BrN3.
It was created on 2009-05-28 and last modified on 2023-12-30.
The IUPAC name is 8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.
The InChIKey is RVTIPKPMNMOVHB-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CN2C(=NC=N2)C(=C1)Br.
The XLogP3-AA value is 1.8.
There are zero hydrogen bond donor counts.
The topological polar surface area is 30.2 Ų.
There are 11 heavy atoms.
Yes, the compound is canonicalized and has a covalently-bonded unit count of 1.