| CAS Number | 21322-93-0 |
| Catalog Number | AG01AMLI(AGN-PC-0QXXJ4) |
| Chemical Name | 3-(Fluorosulfonyl)-4-methylbenzoic acid |
| IUPAC Name | 3-fluorosulfonyl-4-methylbenzoic acid |
| InChI | InChI=1S/C8H7FO4S/c1-5-2-3-6(8(10)11)4-7(5)14(9,12)13/h2-4H,1H3,(H,10,11) |
| InChI Key | BANDUEHUKCIKIF-UHFFFAOYSA-N |
| MDL Number | MFCD06208275 |
| Molecular Formula | C8H7FO4S |
| Molecular Weight | 218.2022 |
| NSC Number | 184697 |
| SMILES | FS(=O)(=O)C=1C=C(C(=O)O)C=CC1C |
| Synonyms | 21322-93-0,
3-fluorosulfonyl-4-methylbenzoic acid,
3-(fluorosulfonyl)-4-methylbenzoic acid,
NSC184697,
AC1L6ZT6,
DTXSID00306953,
AKOS023553118,
ZINC103525305,
FCH1377580,
NSC-184697,
VS-0019,
EN300-224350,
CID302082,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.198g/mol |
| Monoisotopic Mass | 218.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number