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87954-05-0

87954-05-0 structural image
Product Name: Benzonitrile, 2-(2-chloroethynyl)-
Formula: C9H4ClN
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COMPUTED DESCRIPTORS

Molecular Weight 161.59 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 161.0032268 g/mol
Monoisotopic Mass 161.0032268 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 236
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