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4230-91-5

4230-91-5 structural image
Product Name: 2-[(2,4-Dinitrophenyl)thio]-benzothiazole
Formula: C13H7N3O4S2
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COMPUTED DESCRIPTORS

Molecular Weight 333.3 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 332.98779806 g/mol
Monoisotopic Mass 332.98779806 g/mol
Topological Polar Surface Area 158 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 442
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