| CAS Number | 1235407-51-8 |
| Catalog Number | AG019TGN(AGN-PC-0WAP2L) |
| Chemical Name | 2,4-DIfluoro-5-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2,4-difluoro-5-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5ClF2O2S/c1-4-2-7(13(8,11)12)6(10)3-5(4)9/h2-3H,1H3 |
| InChI Key | UHQWNCRFCWGHEX-UHFFFAOYSA-N |
| MDL Number | MFCD22196689 |
| Molecular Formula | C7H5ClF2O2S |
| Molecular Weight | 226.6282 |
| SMILES | O=S(C1=CC(C)=C(F)C=C1F)(Cl)=O |
| Synonyms | 2,4-difluoro-5-methylbenzene-1-sulfonyl chloride,
1235407-51-8,
2,4-difluoro-5-methylbenzenesulfonyl chloride,
SCHEMBL1094769,
UHQWNCRFCWGHEX-UHFFFAOYSA-N,
MFCD22196689,
AKOS017717251,
ZINC100654677,
JS-5248,
NE27764,
RP27672,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.622g/mol |
| Monoisotopic Mass | 225.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number