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861117-99-9

861117-99-9 structural image
Product Name: 4-Bromo-3,5-diiodobenzoic acid
Formula: C7H3BrI2O2
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COMPUTED DESCRIPTORS

Molecular Weight 452.81 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 451.74059 g/mol
Monoisotopic Mass 451.74059 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 176
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