103972-70-9
Product Name:
METHYL 3,3,3-TRIFLUORO-N-(TRIFLUOROACETYL)ALANINATE
Formula:
C6H5F6NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 253.10 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 253.01736199 g/mol |
| Monoisotopic Mass | 253.01736199 g/mol |
| Topological Polar Surface Area | 55.4 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 283 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |