1233509-89-1
Product Name:
Isopropyl 1-(4-bromophenyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Formula:
C12H12BrN3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 326.15 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 325.00620 g/mol |
| Monoisotopic Mass | 325.00620 g/mol |
| Topological Polar Surface Area | 71 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 403 |
| 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 |