CAS
1134327-91-5 Purity
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1134327-91-5 Purity
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Specification
The molecular formula is C5H6BrN3.
The molecular weight is 188.03 g/mol.
The IUPAC name is 3-bromopyridine-2,5-diamine.
The InChI is InChI=1S/C5H6BrN3/c6-4-1-3(7)2-9-5(4)8/h1-2H,7H2,(H2,8,9).
The InChIKey is YJENCMIONVUOCW-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=NC(=C1Br)N)N.
The CAS number is 896160-69-3.
The EC number is 687-507-6.
The XLogP3-AA value is 0.5.
Yes, it is a canonicalized compound according to PubChem.