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121650-19-9

121650-19-9 structural image
Product Name: N,N-DIMETHYL-2-MERCAPTONICOTINAMIDE
Formula: C12H10BrN3O
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COMPUTED DESCRIPTORS

Molecular Weight 182.25 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 182.05138412 g/mol
Monoisotopic Mass 182.05138412 g/mol
Topological Polar Surface Area 64.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 279
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