886369-03-5
Product Name:
4-((S)-1-AMINO-2,2,2-TRIFLUORO-ETHYL)-BENZOIC ACID ETHYL ESTER
Formula:
C11H12F3NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 247.21 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 247.08201311 g/mol |
| Monoisotopic Mass | 247.08201311 g/mol |
| Topological Polar Surface Area | 52.3 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 260 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |