| CAS Number | 1208076-81-6 |
| Catalog Number | AG01F8YA(AGN-PC-3H49B7) |
| Chemical Name | 4-bromo-5-chloro-2-methoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 4-bromo-5-chloro-2-methoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5BrCl2O3S/c1-13-6-2-4(8)5(9)3-7(6)14(10,11)12/h2-3H,1H3 |
| InChI Key | BMMQIGAWULPNOY-UHFFFAOYSA-N |
| MDL Number | MFCD12026210 |
| Molecular Formula | C7H5BrCl2O3S |
| Molecular Weight | 319.9878 |
| SMILES | COc1cc(Br)c(cc1S(=O)(=O)Cl)Cl |
| Synonyms | 1208076-81-6,
4-Bromo-5-chloro-2-methoxybenzenesulfonyl chloride,
4-Bromo-5-chloro-2-methoxybenzene-1-sulfonyl chloride,
ZINC100508071,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.852g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.978g/mol |
| Monoisotopic Mass | 317.852g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number