106276-80-6
Product Name:
Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with p-phenylenediamine and sodium methoxide
Formula:
C16H16Cl4N3NaO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 461.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 460.965746 g/mol |
| Monoisotopic Mass | 458.968696 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 388 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |