947533-37-1 Purity
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Specification
The molecular formula of the compound is C13H8BrIN2.
The molecular weight of the compound is 399.02 g/mol.
The IUPAC name of the compound is 8-bromo-2-(4-iodophenyl)imidazo[1,2-a]pyridine.
The InChI of the compound is InChI=1S/C13H8BrIN2/c14-11-2-1-7-17-8-12(16-13(11)17)9-3-5-10(15)6-4-9/h1-8H.
The InChIKey of the compound is JCSFSMCRWIXOEA-UHFFFAOYSA-N.
The Canonical SMILES representation of the compound is C1=CN2C=C(N=C2C(=C1)Br)C3=CC=C(C=C3)I.
The CAS number of the compound is 947533-53-1.
The XLogP3-AA value of the compound is 4.8.
The hydrogen bond donor count of the compound is 0.
Yes, the compound is canonicalized.