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535966-72-4

535966-72-4 structural image
Product Name: 2-[[[(3-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula: C15H10BrIN2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 505.1 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 503.86402 g/mol
Monoisotopic Mass 503.86402 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 480
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