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126417-76-3

126417-76-3 structural image
Product Name: 3-CHLORO-3-(4-FLUOROPHENYL)ACRYLONITRILE
Formula: C9H5ClFN
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COMPUTED DESCRIPTORS

Molecular Weight 181.59 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 181.0094550 g/mol
Monoisotopic Mass 181.0094550 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 220
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes