308846-06-2 Purity
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Specification
The molecular formula of the compound is C6H4BrN3.
The molecular weight of the compound is 198.02 g/mol.
The IUPAC name of the compound is 4-bromopyrrolo[2,1-f][1,2,4]triazine.
The InChI of the compound is InChI=1S/C6H4BrN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H.
The InChIKey of the compound is YQVMCGYJLCKMEN-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CN2C(=C1)C(=NC=N2)Br.
The CAS number of the compound is 310436-61-4.
The European Community (EC) number of the compound is 890-114-4.
The XLogP3-AA value of the compound is 1.4.
Yes, the compound is canonicalized.