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477867-14-4

477867-14-4 structural image
Product Name: 2-(3,5-DIMETHYLPHENOXY)-5-(TRIFLUOROMETHYL)BENZENECARBONITRILE
Formula: C16H12F3NO
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COMPUTED DESCRIPTORS

Molecular Weight 291.27 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 291.08709849 g/mol
Monoisotopic Mass 291.08709849 g/mol
Topological Polar Surface Area 33 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 390
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