| CAS Number | 1016756-58-3 |
| Catalog Number | AG01APK9(AGN-PC-0WCN4B) |
| Chemical Name | 4-Ethoxy-3-fluorobenzene-1-sulfonyl chloride |
| IUPAC Name | 4-ethoxy-3-fluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClFO3S/c1-2-13-8-4-3-6(5-7(8)10)14(9,11)12/h3-5H,2H2,1H3 |
| InChI Key | LYBSIGBOIHWSAN-UHFFFAOYSA-N |
| MDL Number | MFCD09811071 |
| Molecular Formula | C8H8ClFO3S |
| Molecular Weight | 238.6637 |
| SMILES | O=S(C(C=C1F)=CC=C1OCC)(Cl)=O |
| Synonyms | 4-ETHOXY-3-FLUOROBENZENE-1-SULFONYL CHLORIDE,
1016756-58-3,
4-ethoxy-3-fluorobenzenesulfonyl chloride,
CTK6G2444,
ZINC59112943,
AKOS000157969,
MCULE-7821588198,
L-2887,
F2189-0218,
|
| Complexity | 275 |
| 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 | 3 |
| 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