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21547-71-7

21547-71-7 structural image
Product Name: 2-(1 H-BENZOIMIDAZOL-2-YLSULFANYL)-BUTYRIC ACID
Formula: C11H12N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 236.29 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 236.06194880 g/mol
Monoisotopic Mass 236.06194880 g/mol
Topological Polar Surface Area 91.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 262
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes