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532432-40-9

532432-40-9 structural image
Product Name: 5-BROMO-2-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C16H12BrN3O5S
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COMPUTED DESCRIPTORS

Molecular Weight 438.3 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 436.96810 g/mol
Monoisotopic Mass 436.96810 g/mol
Topological Polar Surface Area 156 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 585
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