| CAS Number | 120097-63-4 |
| Catalog Number | AG01BE95(AGN-PC-0O0183) |
| Chemical Name | 3,3,3-Trifluoropropyl trifluoromethanesulfonate |
| IUPAC Name | 3,3,3-trifluoropropyl trifluoromethanesulfonate |
| InChI | InChI=1S/C4H4F6O3S/c5-3(6,7)1-2-13-14(11,12)4(8,9)10/h1-2H2 |
| InChI Key | CFROLHNCACAAOW-UHFFFAOYSA-N |
| MDL Number | MFCD14691072 |
| Molecular Formula | C4H4F6O3S |
| Molecular Weight | 246.1282 |
| SMILES | O=S(C(F)(F)F)(OCCC(F)(F)F)=O |
| Synonyms | 3,3,3-trifluoropropyl trifluoromethanesulfonate,
120097-63-4,
SCHEMBL780399,
3,3,3-Trifluoropropyl triflate,
CFROLHNCACAAOW-UHFFFAOYSA-N,
ZINC100552021,
Trifluoromethanesulfonic acid 3,3,3-trifluoropropyl ester,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.978534g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.13g/mol |
| Monoisotopic Mass | 245.978534g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number