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96027-84-8

96027-84-8 structural image
Product Name: 2-n-Butyl-4-[(2-Bromoethoxy)-3,5-diiodobenzoyl]benzofuran
Formula: C21H19BrI2O3
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COMPUTED DESCRIPTORS

Molecular Weight 653.1 g/mol
XLogP3 7.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 8
Exact Mass 651.86070 g/mol
Monoisotopic Mass 651.86070 g/mol
Topological Polar Surface Area 39.4 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 480
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