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531548-51-3

531548-51-3 structural image
Product Name: 2-[[[(3-BROMO-4-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula: C16H12BrIN2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 535.2 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 533.87459 g/mol
Monoisotopic Mass 533.87459 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 524
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