| CAS Number | 1865148-58-8 |
| Catalog Number | AG01C8Z5 |
| Chemical Name | Methyl 3-fluorobenzene-1-sulfonate |
| IUPAC Name | methyl 3-fluorobenzenesulfonate |
| InChI | InChI=1S/C7H7FO3S/c1-11-12(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChI Key | KLINELVCVRRAJI-UHFFFAOYSA-N |
| MDL Number | MFCD31443750 |
| Molecular Formula | C7H7FO3S |
| Molecular Weight | 190.1921 |
| SMILES | O=S(C1=CC=CC(F)=C1)(OC)=O |
| Synonyms | methyl 3-fluorobenzene-1-sulfonate,
1865148-58-8,
SCHEMBL13290709,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.188g/mol |
| Monoisotopic Mass | 190.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number