1185016-59-4
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 |