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162411-24-7

162411-24-7 structural image
Product Name: NIR 4f
Formula: C38H42BrClN4S2
Synonyms: 1,1′-Bis(3-isothiocyanatopropyl)-11-chloro-3,3,3′,3′-tetramethyl-10,12-trimethylenindotricarbocyanine bromide
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COMPUTED DESCRIPTORS

Molecular Weight 734.3 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 11
Exact Mass 732.17228 g/mol
Monoisotopic Mass 732.17228 g/mol
Topological Polar Surface Area 95.2 Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 1260
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes