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887595-07-5

887595-07-5 structural image
Product Name: 3-(6-BROMO-PYRIDIN-2-YL)-3-OXO-PROPIONITRILE
Formula: C8H5BrN2O
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COMPUTED DESCRIPTORS

Molecular Weight 225.04 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 223.95853 g/mol
Monoisotopic Mass 223.95853 g/mol
Topological Polar Surface Area 53.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 220
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