647806-97-1
Product Name:
Pentanedioic acid, 1-[6-[[(1,1-dimethylethoxy)carbonyl]amino]hexyl] 5-(2,3,4,5,6-pentachlorophenyl) ester
Formula:
C22H28Cl5NO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 580.7 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 14 |
| Exact Mass | 580.040801 g/mol |
| Monoisotopic Mass | 578.043751 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | -1 |
| Complexity | 818 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |