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530128-20-2

530128-20-2 structural image
Product Name: 2-[[[(2-CHLORO-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula: C15H9ClIN3O5S
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COMPUTED DESCRIPTORS

Molecular Weight 505.7 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 504.89962 g/mol
Monoisotopic Mass 504.89962 g/mol
Topological Polar Surface Area 156 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 590
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