162411-31-6
Product Name:
NIR 5e
Formula:
C46H46BrClN4S2
Synonyms:
1,1′-Bis(3-isothiocyanatopropyl)-11-chloro-4,5:4′,5′-dibenzo-3,3,3′,3′-tetramethyl-10,12-trimethylenindotricarbocyanine bromide
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COMPUTED DESCRIPTORS
| Molecular Weight | 834.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 832.20358 g/mol |
| Monoisotopic Mass | 832.20358 g/mol |
| Topological Polar Surface Area | 95.2 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1510 |
| 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 |