866132-23-2
Product Name:
1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-3-(DIMETHYLAMINO)-2-BUTEN-1-ONE
Formula:
C12H12ClF3N2O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 41 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 292.68 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 292.0590252 g/mol |
| Monoisotopic Mass | 292.0590252 g/mol |
| Topological Polar Surface Area | 33.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 369 |
| 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 |