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62538-21-0

62538-21-0 structural image
Product Name: 2-(4-Chlorophenyl)-2-cyanoacetaldehyde
Formula: C9H6ClNO
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COMPUTED DESCRIPTORS

Molecular Weight 179.60 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 179.0137915 g/mol
Monoisotopic Mass 179.0137915 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 200
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