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56394-22-0

56394-22-0 structural image
Product Name: 6-BROMO-3-CYANO-4-METHYLCOUMARIN
Formula: C11H6BrNO2
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COMPUTED DESCRIPTORS

Molecular Weight 264.07 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 262.95819 g/mol
Monoisotopic Mass 262.95819 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 379
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