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81613-58-3

81613-58-3 structural image
Product Name: 1-(3-BROMOPROP-1-YNYL)-3,5-DI(TRIFLUOROMETHYL)BENZENE
Formula: C11H5BrF6
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COMPUTED DESCRIPTORS

Molecular Weight 331.05 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 329.94788 g/mol
Monoisotopic Mass 329.94788 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 322
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