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536983-59-2

536983-59-2 structural image
Product Name: 3,5-DIBROMO-2-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C15H8Br2ClN3O5S
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COMPUTED DESCRIPTORS

Molecular Weight 537.6 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 536.82195 g/mol
Monoisotopic Mass 534.82399 g/mol
Topological Polar Surface Area 156 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 623
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