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1185016-59-4

1185016-59-4 structural image
Product Name: 2-[3-(bromomethyl)-5-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile
Formula: C15H5BrD12N2
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COMPUTED DESCRIPTORS

Molecular Weight 317.29 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 316.13283 g/mol
Monoisotopic Mass 316.13283 g/mol
Topological Polar Surface Area 47.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 357
Isotope Atom Count 12
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