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100961-52-2

100961-52-2 structural image
Product Name: 2-(4-CYANO-BENZYLSULFANYL)-BENZOIC ACID
Formula: C15H11NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 269.3 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 269.05104977 g/mol
Monoisotopic Mass 269.05104977 g/mol
Topological Polar Surface Area 86.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 354
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