371219-78-2
Product Name:
ethyl 5-tert-butyl-5-hydroxy-1-(3-nitrobenzoyl)-4H-pyrazole-3-carboxylate
Formula:
C17H21N3O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 363.4 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 363.14303540 g/mol |
| Monoisotopic Mass | 363.14303540 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 621 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |