478041-20-2
Product Name:
1-[1-(4-ACETYLPHENYL)-1H-1,2,3-TRIAZOL-4-YL]-2-(2,4-DICHLOROPHENOXY)-1-PROPANONE
Formula:
C19H15Cl2N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 404.2 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 403.0490467 g/mol |
| Monoisotopic Mass | 403.0490467 g/mol |
| Topological Polar Surface Area | 74.1 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 542 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |