339020-98-3
Product Name:
4-[(3-CHLOROANILINO)METHYLENE]-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:
C11H7ClF3N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 289.64 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 289.0229740 g/mol |
| Monoisotopic Mass | 289.0229740 g/mol |
| Topological Polar Surface Area | 53.5 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 433 |
| 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 |