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914637-21-1

914637-21-1 structural image
Product Name: (2-CHLORO-3-METHYL-5-TRIFLUOROMETHOXY-PHENYL)-ACETONITRILE
Formula: C10H7ClF3NO
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COMPUTED DESCRIPTORS

Molecular Weight 249.61 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 249.0168260 g/mol
Monoisotopic Mass 249.0168260 g/mol
Topological Polar Surface Area 33 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 286
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