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898786-76-0

898786-76-0 structural image
Product Name: 7-CHLORO-1-(3-CYANOPHENYL)-1-OXOHEPTANE
Formula: C14H16ClNO
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COMPUTED DESCRIPTORS

Molecular Weight 249.73 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 249.0920418 g/mol
Monoisotopic Mass 249.0920418 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 281
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