| CAS Number | 1951441-83-0 |
| Catalog Number | AG00I3AC(AGN-PC-0WQZRT) |
| Chemical Name | N-Trifluoroacetyl (2-tosyloxy)ethylamine |
| IUPAC Name | 2-[(2,2,2-trifluoroacetyl)amino]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C11H12F3NO4S/c1-8-2-4-9(5-3-8)20(17,18)19-7-6-15-10(16)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16) |
| InChI Key | HZUDKEGCRKJFOG-UHFFFAOYSA-N |
| MDL Number | MFCD29764392 |
| Molecular Formula | C11H12F3NO4S |
| Molecular Weight | 311.2775 |
| SMILES | O=C(C(F)(F)F)NCCOS(=O)(=O)c1ccc(cc1)C |
| Synonyms | N-Trifluoroacetyl (2-tosyloxy)ethylamine,
1951441-83-0,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.275g/mol |
| Monoisotopic Mass | 311.044g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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