CAS
95082-77-2 Purity
96%
95082-77-2 Purity
96%
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The molecular formula is C11H11BrN4O.
The molecular weight is 295.14 g/mol.
It was created on October 30, 2011.
The IUPAC name is 1-N-(5-bromopyrazin-2-yl)-4-methoxybenzene-1,2-diamine.
The InChI is InChI=1S/C11H11BrN4O/c1-17-7-2-3-9(8(13)4-7)16-11-6-14-10(12)5-15-11/h2-6H,13H2,1H3,(H,15,16).
The InChIKey is LOQDWAMBYVIPGR-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC(=C(C=C1)NC2=CN=C(C=N2)Br)N.
The CAS number is 950845-96-2.
The XLogP3-AA value is 2.
Yes, it is a canonicalized compound.