| CAS Number | 883146-06-3 |
| Catalog Number | AG01EY68(AGN-PC-08XZ5D) |
| Chemical Name | 3-Bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-bromo-4-(trifluoromethoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H3BrClF3O3S/c8-5-3-4(16(9,13)14)1-2-6(5)15-7(10,11)12/h1-3H |
| InChI Key | VYGXKXBCLAWISQ-UHFFFAOYSA-N |
| MDL Number | MFCD12026153 |
| Molecular Formula | C7H3BrClF3O3S |
| Molecular Weight | 339.5141 |
| SMILES | C(F)(F)(F)OC1C=CC(S(=O)(=O)Cl)=CC=1Br |
| Synonyms | 883146-06-3,
3-Bromo-4-trifluoromethoxybenzenesulfonyl chloride,
3-bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride,
3-Bromo-4-trifluoromethoxy-benzenesulfonyl chloride,
SCHEMBL1415662,
VYGXKXBCLAWISQ-UHFFFAOYSA-N,
AKOS026670830,
ZINC100507933,
36730-EP2311801A1,
36730-EP2311802A1,
36730-EP2311803A1,
36730-EP2371814A1,
3-Bromo-4-(trifluoromethoxy)benzenesulfonyl chloride,
4-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.863g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.507g/mol |
| Monoisotopic Mass | 337.863g/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