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954238-40-5

954238-40-5 structural image
Product Name: 2-(3-BROMO-PHENYL)-4,4,4-TRIFLUORO-3-OXO-BUTYRONITRILE
Formula: C10H5BrF3NO
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COMPUTED DESCRIPTORS

Molecular Weight 292.05 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 290.95066 g/mol
Monoisotopic Mass 290.95066 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 320
Isotope Atom Count 0
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