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535965-38-9

535965-38-9 structural image
Product Name: 3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C15H8Br2N4O7S
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COMPUTED DESCRIPTORS

Molecular Weight 548.1 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 547.84600 g/mol
Monoisotopic Mass 545.84804 g/mol
Topological Polar Surface Area 202 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 679
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