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6904-93-4

6904-93-4 structural image
Product Name: 5,7-dichloro-1,2-dihydro-2-(5,6,7-trichloro-3-oxobenzo[b]thien-2(3H)-ylidene)-3H-indol-3-one
Formula: C16H4Cl5NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 451.5 g/mol
XLogP3 6.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 450.837588 g/mol
Monoisotopic Mass 448.840538 g/mol
Topological Polar Surface Area 77.9 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 607
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