128970-29-6
Product Name:
METHYL 2-([(BENZYLOXY)CARBONYL]AMINO)-2-(TRIFLUOROMETHYL)BUT-3-YNOATE
Formula:
C14H12F3NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 315.24 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 315.07184235 g/mol |
| Monoisotopic Mass | 315.07184235 g/mol |
| Topological Polar Surface Area | 64.6 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 462 |
| 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 |