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37839-44-4

37839-44-4 structural image
Product Name: 1,2-BENZISOTHIAZOL-3-YLACETONITRILE
Formula: C9H6N2S
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COMPUTED DESCRIPTORS

Molecular Weight 174.22 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 174.02516937 g/mol
Monoisotopic Mass 174.02516937 g/mol
Topological Polar Surface Area 64.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 208
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