| CAS Number | 1375065-87-4 |
| Catalog Number | AG01F80M(AGN-PC-3H555A) |
| Chemical Name | 5-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 5-bromo-2-(trifluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H3BrClF3O2S/c8-4-1-2-5(7(10,11)12)6(3-4)15(9,13)14/h1-3H |
| InChI Key | YYXBLOYYPXCFJH-UHFFFAOYSA-N |
| MDL Number | MFCD25976525 |
| Molecular Formula | C7H3BrClF3O2S |
| Molecular Weight | 323.5147 |
| SMILES | Brc1ccc(c(c1)S(=O)(=O)Cl)C(F)(F)F |
| Synonyms | 5-Bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride,
1375065-87-4,
DTXSID30856572,
ZINC97971347,
FS-6148,
5-bromo-2-(trifluoromethyl)benzenesulfonyl chloride,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.868g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.508g/mol |
| Monoisotopic Mass | 321.868g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number