866149-43-1
Product Name:
2-[4-(4-BROMOPHENYL)-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]ACETONITRILE
Formula:
C10H7BrN4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 279.09 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 277.98032 g/mol |
| Monoisotopic Mass | 277.98032 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 353 |
| 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 |