CAS
95096-06-3 Purity
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95096-06-3 Purity
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The molecular formula is C17H11BrN2O.
It was created on June 23, 2008, and modified on December 30, 2023.
The IUPAC name is 4-(3-bromo-1-methyl-2-oxoquinolin-4-yl)benzonitrile.
The InChI is InChI=1S/C17H11BrN2O/c1-20-14-5-3-2-4-13(14)15(16(18)17(20)21)12-8-6-11(10-19)7-9-12/h2-9H,1H3.
The Molecular Weight is 339.2 g/mol.
It has 2 Hydrogen Bond Acceptor Counts.
The Exact Mass is 338.00548 g/mol.
The Topological Polar Surface Area is 44.1 Ų.
There are 21 Heavy Atoms.
Yes, the compound is Canonicalized.