477710-17-1
Product Name:
2-[(E)-2-(2-BROMOPHENYL)HYDRAZONO]-3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-3-OXOPROPANENITRILE
Formula:
C14H12BrN5O
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COMPUTED DESCRIPTORS
| Molecular Weight | 346.18 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 345.02252 g/mol |
| Monoisotopic Mass | 345.02252 g/mol |
| Topological Polar Surface Area | 83.1 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 |