| CAS Number | 874804-14-5 |
| Catalog Number | AG01BC6I(AGN-PC-0WCD2K) |
| Chemical Name | 4-bromo-2-fluoro-5-methylbenzenesulfonyl chloride |
| IUPAC Name | 4-bromo-2-fluoro-5-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5BrClFO2S/c1-4-2-7(13(9,11)12)6(10)3-5(4)8/h2-3H,1H3 |
| InChI Key | RXCNQBHYHBDBFV-UHFFFAOYSA-N |
| MDL Number | MFCD06409095 |
| Molecular Formula | C7H5BrClFO2S |
| Molecular Weight | 287.5338 |
| SMILES | S(=O)(=O)(Cl)c1c(F)cc(c(c1)C)Br |
| Synonyms | 874804-14-5,
4-Bromo-2-fluoro-5-methylbenzenesulfonyl chloride,
4-Bromo-2-Fluoro-5-methylbenzene-1-sulfonyl chloride,
SCHEMBL19613829,
CTK7B7944,
1261AF,
ZINC100507865,
4-BROMO-2-FLUORO-5-METHYLBENZENESULPHONYL CHLORIDE,
C7H5BrClFO2S,
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| 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
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Certificate of Analysis
Lot Number