| CAS Number | 32578-31-7 |
| Catalog Number | AG01DHCN(AGN-PC-0JT3ET) |
| Chemical Name | m-Tolyl Trifluoromethanesulfonate |
| IUPAC Name | (3-methylphenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C8H7F3O3S/c1-6-3-2-4-7(5-6)14-15(12,13)8(9,10)11/h2-5H,1H3 |
| InChI Key | JKQWRNLLUVAYLV-UHFFFAOYSA-N |
| MDL Number | MFCD25976450 |
| Molecular Formula | C8H7F3O3S |
| Molecular Weight | 240.1996 |
| SMILES | C(F)(F)(F)S(=O)(=O)OC1C=CC=C(C)C=1 |
| Synonyms | 32578-31-7,
m-Tolyl trifluoromethanesulfonate,
Methanesulfonic acid, trifluoro-, 3-methylphenyl ester,
3-Tolyl trifluoromethanesulfonate,
(3-methylphenyl) trifluoromethanesulfonate,
AC1LC9GC,
SCHEMBL167959,
CTK1B9119,
DTXSID90341277,
JKQWRNLLUVAYLV-UHFFFAOYSA-N,
ZX-RL003734,
ZINC113241862,
FCH2419066,
3-Methylphenyl trifluoromethanesulfonate #,
PC500117,
Trifluoromethanesulfonic acid 3-methylphenyl ester,
CID572021,
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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 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number