| CAS Number | 935534-26-2 |
| Catalog Number | AG01BKAG |
| Chemical Name | 4-(Fluorosulfonyl)-3-methoxybenzoic acid |
| IUPAC Name | 4-fluorosulfonyl-3-methoxybenzoic acid |
| InChI | InChI=1S/C8H7FO5S/c1-14-6-4-5(8(10)11)2-3-7(6)15(9,12)13/h2-4H,1H3,(H,10,11) |
| InChI Key | MMGFERAHRYVWRR-UHFFFAOYSA-N |
| MDL Number | MFCD09261206 |
| Molecular Formula | C8H7FO5S |
| Molecular Weight | 234.2016 |
| SMILES | COC1=C(S(F)(=O)=O)C=CC(C(O)=O)=C1 |
| Synonyms | 4-(fluorosulfonyl)-3-methoxybenzoic acid,
935534-26-2,
4-FLUOROSULFONYL-3-METHOXY-BENZOIC ACID,
ES-2255,
MB07175,
4-Fluorosulfonyl-3-methoxy-benzoicacid,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.197g/mol |
| Monoisotopic Mass | 234g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number