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586391-44-8

586391-44-8 structural image
Product Name: 3,5-DICHLORO-2-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C15H8Cl3IN2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 529.6 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 527.83659 g/mol
Monoisotopic Mass 527.83659 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 542
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