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Homecas531543-04-1

531543-04-1

531543-04-1 structural image
Product Name: 2-[[[(5-BROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
Formula: C16H12BrClN2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 443.7 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 441.93897 g/mol
Monoisotopic Mass 441.93897 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