94532-57-7
Product Name:
1-(4-CHLOROPHENYL)-4-(2-HYDROXYETHYL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
Formula:
C12H13ClN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 252.69 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 252.0665554 g/mol |
| Monoisotopic Mass | 252.0665554 g/mol |
| Topological Polar Surface Area | 52.9 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 325 |
| 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 |