121556-56-7
Product Name:
2-[(E)-2-(2-Chloro-3-((E)-2-[3-ethyl-5-phenyl-1,3-benzoxazol-2(3H)-ylidene]ethylidene)-1-cyclopenten-1-yl)ethenyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium iodide
Formula:
C39H34ClIN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 725.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 724.13535 g/mol |
| Monoisotopic Mass | 724.13535 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1030 |
| 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 |