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533918-82-0

533918-82-0 structural image
Product Name: 2-[[[(2-CHLORO-4-METHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula: C16H12ClIN2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 474.7 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 473.93019 g/mol
Monoisotopic Mass 473.93019 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 508
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