320420-68-6
Product Name:
3-(4-CHLOROPHENYL)-2-[2-METHYL-2-(1H-1,2,4-TRIAZOL-1-YL)PROPANOYL]ACRYLONITRILE
Formula:
C15H13ClN4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 300.74 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 300.0777887 g/mol |
| Monoisotopic Mass | 300.0777887 g/mol |
| Topological Polar Surface Area | 71.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 471 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |