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16538-46-8

16538-46-8 structural image
Product Name: [2-(CYANOMETHYL)PHENYL]BORONIC ACID
Formula: C8H8BNO2
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COMPUTED DESCRIPTORS

Molecular Weight 160.97 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 161.0648087 g/mol
Monoisotopic Mass 161.0648087 g/mol
Topological Polar Surface Area 64.2 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 187
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