1717-42-6
Product Name:
3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER
Formula:
C12H11F3O3
Synonyms:
3-(3-Trifluoromethylphenyl)-3-oxo-propionic acid ethyl ester;Ethyl 2-(3-trifluoromethylbenzoyl)acetate;Ethyl 3-(3-trifluoromethylphenyl)-3-oxopropanoate
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COMPUTED DESCRIPTORS
| Molecular Weight | 260.21 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 260.06602869 g/mol |
| Monoisotopic Mass | 260.06602869 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 312 |
| 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 |