947533-35-9 Purity
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Specification
The IUPAC name of the compound is 8-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.
The molecular formula of the compound is C13H8BrN3O2.
The molecular weight of the compound is 318.12 g/mol.
The InChI of the compound is InChI=1S/C13H8BrN3O2/c14-11-2-1-7-16-8-12(15-13(11)16)9-3-5-10(6-4-9)17(18)19/h1-8H.
The InChIKey of the compound is OKRHUJHBEHYWIB-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CN2C=C(N=C2C(=C1)Br)C3=CC=C(C=C3)[N+](=O)[O-].
The CAS number of the compound is 947533-49-5.
The XLogP3-AA value of the compound is 3.9.
The compound has 0 hydrogen bond donor counts.
The compound has 3 hydrogen bond acceptor counts.