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63512-13-0

Product Name: Solvent Red 172
Formula: C21H13Br2NO3
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COMPUTED DESCRIPTORS

Molecular Weight 487.1 g/mol
XLogP3 6.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 486.92417 g/mol
Monoisotopic Mass 484.92622 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 588
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