477859-76-0
Product Name:
2-(3-CHLORO-5-TRIFLUOROMETHYL-PYRIDINYL)-MALONIC ACID DIMETHYL ESTER
Formula:
C11H9ClF3NO4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 41.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 311.64 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 311.0172199 g/mol |
| Monoisotopic Mass | 311.0172199 g/mol |
| Topological Polar Surface Area | 65.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 361 |
| 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 |