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531533-76-3

531533-76-3 structural image
Product Name: 3,5-DICHLORO-2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C18H12Br2Cl2N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 583.1 g/mol
XLogP3 6.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 581.82411 g/mol
Monoisotopic Mass 579.82616 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 657
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes