| CAS Number | 1216147-31-7 |
| Catalog Number | AG01B30Q |
| Chemical Name | 5-fluoro-2-(propan-2-yloxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 5-fluoro-2-propan-2-yloxybenzenesulfonyl chloride |
| InChI | InChI=1S/C9H10ClFO3S/c1-6(2)14-8-4-3-7(11)5-9(8)15(10,12)13/h3-6H,1-2H3 |
| InChI Key | CXPQORTYFWWSDZ-UHFFFAOYSA-N |
| MDL Number | MFCD14529280 |
| Molecular Formula | C9H10ClFO3S |
| Molecular Weight | 252.6903 |
| SMILES | CC(OC1=C(S(Cl)(=O)=O)C=C(F)C=C1)C |
| Synonyms | 5-Fluoro-2-(propan-2-yloxy)benzene-1-sulfonyl chloride,
1216147-31-7,
AKOS011384695,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.684g/mol |
| Monoisotopic Mass | 252.002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number