| CAS Number | 313490-19-6 |
| Catalog Number | AG00D4BH(AGN-PC-0R6O5M) |
| Chemical Name | Methyl (2r)-2-([(tert-butoxy)carbonyl]amino)-2-(4-[(trifluoromethane)sulfonyloxy]phenyl)acetate |
| IUPAC Name | methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethylsulfonyloxy)phenyl]acetate |
| InChI | InChI=1S/C15H18F3NO7S/c1-14(2,3)25-13(21)19-11(12(20)24-4)9-5-7-10(8-6-9)26-27(22,23)15(16,17)18/h5-8,11H,1-4H3,(H,19,21)/t11-/m1/s1 |
| InChI Key | RCWXVVSPWNKHBK-LLVKDONJSA-N |
| MDL Number | MFCD26523311 |
| Molecular Formula | C15H18F3NO7S |
| Molecular Weight | 413.3661 |
| SMILES | S(=O)(=O)(OC1(=CC=C(C(NC(=O)OC(C)(C)C)C(=O)OC)C=C1))C(F)(F)F |
| Synonyms | 313490-19-6,
methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-2-{4-[(trifluoromethane)sulfonyloxy]phenyl}acetate,
C15H18F3NO7S,
SCHEMBL13808587,
KS-00002BAY,
9921AD,
ZINC78097210,
AKOS025393550,
SS-4658,
PC200379,
Methyl (r)-2-((tert-butoxycarbonyl)amino)-2-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)acetate,
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| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.364g/mol |
| Monoisotopic Mass | 413.076g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number