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887430-98-0

887430-98-0 structural image
Product Name: 4-[(5-BROMOPYRIMIDIN-2-YL)OXY]BENZONITRILE
Formula: C11H6BrN3O
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COMPUTED DESCRIPTORS

Molecular Weight 276.09 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 274.96942 g/mol
Monoisotopic Mass 274.96942 g/mol
Topological Polar Surface Area 58.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 262
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes