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898767-78-7

898767-78-7 structural image
Product Name: 6-(2-CHLOROPHENYL)-6-OXOHEXANENITRILE
Formula: C12H12ClNO
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COMPUTED DESCRIPTORS

Molecular Weight 221.68 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 221.0607417 g/mol
Monoisotopic Mass 221.0607417 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 256
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