162411-24-7
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 |