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72714-31-9

72714-31-9 structural image
Product Name: (E)-Cyano(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-en-1-yl)cyclopropanecarboxylate
Formula: C23H20F3NO3
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COMPUTED DESCRIPTORS

Molecular Weight 415.4 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 415.13952799 g/mol
Monoisotopic Mass 415.13952799 g/mol
Topological Polar Surface Area 59.3 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 688
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes