| CAS Number | 66107-34-4 |
| Catalog Number | AG00IBK9(AGN-PC-0BZOH8) |
| Chemical Name | Methanesulfonic acid, trifluoro-, 2-methylphenyl ester |
| IUPAC Name | (2-methylphenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C8H7F3O3S/c1-6-4-2-3-5-7(6)14-15(12,13)8(9,10)11/h2-5H,1H3 |
| InChI Key | RBOGJRXPKONDGC-UHFFFAOYSA-N |
| MDL Number | MFCD29089375 |
| Molecular Formula | C8H7F3O3S |
| Molecular Weight | 240.1996 |
| SMILES | O=S(C(F)(F)F)(OC1=CC=CC=C1C)=O |
| Synonyms | o-tolyl Trifluoromethanesulfonate,
66107-34-4,
o-tolyl triflate,
2-Tolyl trifluoromethanesulfonate,
RBOGJRXPKONDGC-UHFFFAOYSA-N,
Methanesulfonic acid, trifluoro-, 2-methylphenyl ester,
o-tolyltriflate,
(2-methylphenyl) trifluoromethanesulfonate,
AC1LC9GI,
SCHEMBL2984151,
CTK1J5249,
DTXSID10341279,
AKOS027253000,
2-Methylphenol trifluoromethanesulfonate,
2-Methylphenyl trifluoromethanesulfonate #,
Trifluoromethanesulfonic Acid o-Tolyl Ester,
CID572025,
T3357,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.196g/mol |
| Monoisotopic Mass | 240.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number