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81-44-7

81-44-7 structural image
Product Name: 1-BENZOYLAMINO-4-BROMOANTHRAQUINONE
Formula: C21H12BrNO3
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COMPUTED DESCRIPTORS

Molecular Weight 406.2 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 405.00006 g/mol
Monoisotopic Mass 405.00006 g/mol
Topological Polar Surface Area 63.2 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 586
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