13024-90-3
Product Name:
1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
Formula:
C10H9ClN2O
Synonyms:
1-(4-Chlorophenyl)-3-methyl-5-pyrazolone;2-(4-Chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one;3-Methyl-1-(4-chlorophenyl)-5-pyrazolone
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CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 26 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 208.64 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 208.0403406 g/mol |
| Monoisotopic Mass | 208.0403406 g/mol |
| Topological Polar Surface Area | 32.7 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 269 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |