1025673-99-7
Product Name:
4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE
Formula:
C20H17Cl2N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.3 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 417.0646968 g/mol |
| Monoisotopic Mass | 417.0646968 g/mol |
| Topological Polar Surface Area | 78.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 688 |
| 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 |