914350-23-5
Product Name:
1-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
Formula:
C8H11Br2N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 325.00 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 324.92484 g/mol |
| Monoisotopic Mass | 322.92689 g/mol |
| Topological Polar Surface Area | 47.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 229 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |