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1189704-85-5

1189704-85-5 structural image
Product Name: 2-(3-CHLOROPHENYL)-2-CYANO-1-(3-PYRIDINYL-D4)-1-ETHANONE
Formula: C14H5ClD4N2O
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COMPUTED DESCRIPTORS

Molecular Weight 260.71 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 260.0654476 g/mol
Monoisotopic Mass 260.0654476 g/mol
Topological Polar Surface Area 53.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 349
Isotope Atom Count 4
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes