860786-60-3
Product Name:
2-[4-(4-Chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
Formula:
C11H9ClN4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 248.67 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 248.0464886 g/mol |
| Monoisotopic Mass | 248.0464886 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 392 |
| 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 |