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860617-72-7

860617-72-7 structural image
Product Name: 5-CYANO-3-METHYLTHIOPHENE-2-BORONIC ACID
Formula: C6H6BNO2S
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COMPUTED DESCRIPTORS

Molecular Weight 167.00 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 167.0212298 g/mol
Monoisotopic Mass 167.0212298 g/mol
Topological Polar Surface Area 92.5 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 190
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