63815-86-1
Product Name:
1-Methyl-3-sulfopropyl-5-trifluoromethyl-2-(3-(1-methyl-3-sulfopropyl-5-trifluoromethyl benzimidazolinylidene)-1-propenyl) benzimidazolium hydroxide, inner salt, sodium salt
Formula:
C27H27F6N4NaO6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 704.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Exact Mass | 704.11739020 g/mol |
| Monoisotopic Mass | 704.11739020 g/mol |
| Topological Polar Surface Area | 146 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1190 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |