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532955-97-8

532955-97-8 structural image
Product Name: 3,5-DIBROMO-2-[[[[4-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C19H18Br2N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 530.2 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 529.93335 g/mol
Monoisotopic Mass 527.93540 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 572
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes