| CAS Number | 752132-49-3 |
| Catalog Number | AG01A3F4(AGN-PC-0WCTTX) |
| Chemical Name | 2-Bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-bromo-4-(trifluoromethoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H3BrClF3O3S/c8-5-3-4(15-7(10,11)12)1-2-6(5)16(9,13)14/h1-3H |
| InChI Key | VWWRUCDVDGRSNG-UHFFFAOYSA-N |
| MDL Number | MFCD12026151 |
| Molecular Formula | C7H3BrClF3O3S |
| Molecular Weight | 339.5141 |
| SMILES | FC(OC1=CC(Br)=C(S(Cl)(=O)=O)C=C1)(F)F |
| Synonyms | 2-bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride,
752132-49-3,
2-Bromo-4-trifluoromethoxybenzenesulfonyl chloride,
SCHEMBL3691567,
AKOS027384296,
ZINC100467802,
NE15373,
2-bromo-4-(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