| CAS Number | 1461705-63-4 |
| Catalog Number | AG01A5UE |
| Chemical Name | 3-fluoro-4-methoxy-2-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClFO3S/c1-5-7(14(9,11)12)4-3-6(13-2)8(5)10/h3-4H,1-2H3 |
| InChI Key | BELVUVMOPNDPCJ-UHFFFAOYSA-N |
| MDL Number | MFCD25371623 |
| Molecular Formula | C8H8ClFO3S |
| Molecular Weight | 238.6637 |
| SMILES | COC1=C(F)C(C)=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 3-fluoro-4-methoxy-2-methylbenzene-1-sulfonyl chloride,
1461705-63-4,
ZINC97957417,
NE29581,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.657g/mol |
| Monoisotopic Mass | 237.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number