| CAS Number | 874804-12-3 |
| Catalog Number | AG01BDHO(AGN-PC-08XZLH) |
| Chemical Name | 5-Bromo-4-fluoro-2-methylbenzenesulfonyl chloride |
| IUPAC Name | 5-bromo-4-fluoro-2-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5BrClFO2S/c1-4-2-6(10)5(8)3-7(4)13(9,11)12/h2-3H,1H3 |
| InChI Key | KHORHAKUKQFFDV-UHFFFAOYSA-N |
| MDL Number | MFCD06409093 |
| Molecular Formula | C7H5BrClFO2S |
| Molecular Weight | 287.5338 |
| SMILES | CC1=C(S(Cl)(=O)=O)C=C(Br)C(F)=C1 |
| Synonyms | 874804-12-3,
5-bromo-4-fluoro-2-methylbenzenesulfonyl chloride,
5-bromo-4-fluoro-2-methylbenzene-1-sulfonyl chloride,
SCHEMBL17203518,
DTXSID50679326,
AKOS023846467,
ZINC100518666,
FS-5667,
NE13275,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.527g/mol |
| Monoisotopic Mass | 285.887g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number