CAS
947534-27-2 Purity
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947534-27-2 Purity
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Specification
The molecular formula is C9H10BrN3O2.
The molecular weight is 272.10 g/mol.
It was created on April 27, 2010.
The IUPAC name is 5-bromo-N-cyclobutyl-3-nitropyridin-2-amine.
The InChI is InChI=1S/C9H10BrN3O2/c10-6-4-8(13(14)15)9(11-5-6)12-7-2-1-3-7/h4-5,7H,1-3H2,(H,11,12).
The InChIKey is BTRLHRIMRXFTDW-UHFFFAOYSA-N.
The canonical SMILES is C1CC(C1)NC2=C(C=C(C=N2)Br)[N+](=O)[O-].
The XLogP3-AA value is 3.2.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.