| CAS Number | 1936290-01-5 |
| Catalog Number | AG01FH8G(AGN-PC-3H4AN2) |
| Chemical Name | 5-Bromo-2-fluoro-4-methylphenyl trifluoromethanesulphonate |
| IUPAC Name | (5-bromo-2-fluoro-4-methylphenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C8H5BrF4O3S/c1-4-2-6(10)7(3-5(4)9)16-17(14,15)8(11,12)13/h2-3H,1H3 |
| InChI Key | SRJJQJWYFZHTRL-UHFFFAOYSA-N |
| MDL Number | MFCD28963743 |
| Molecular Formula | C8H5BrF4O3S |
| Molecular Weight | 337.0861 |
| SMILES | FC(S(=O)(=O)Oc1cc(Br)c(cc1F)C)(F)F |
| Synonyms | 5-Bromo-2-fluoro-4-methylphenyl trifluoromethanesulphonate,
1936290-01-5,
MFCD28963743,
ZINC259431661,
FCH4218685,
PC53047,
PS-11105,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.083g/mol |
| Monoisotopic Mass | 335.908g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number