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1582-05-4

1582-05-4 structural image
Product Name: 2-Pentafluorophenyl-malonic acid diethyl ester
Formula: C13H11F5O4
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COMPUTED DESCRIPTORS

Molecular Weight 326.22 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 326.05774964 g/mol
Monoisotopic Mass 326.05774964 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 374
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