| CAS Number | 21346-65-6 |
| Catalog Number | AG01AML5(AGN-PC-0JOR05) |
| Chemical Name | 5-(Fluorosulfonyl)-2-methylbenzoic acid |
| IUPAC Name | 5-fluorosulfonyl-2-methylbenzoic acid |
| InChI | InChI=1S/C8H7FO4S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
| InChI Key | VORKXFBYNXMVJD-UHFFFAOYSA-N |
| MDL Number | MFCD11109211 |
| Molecular Formula | C8H7FO4S |
| Molecular Weight | 218.2022 |
| NSC Number | 210270 |
| SMILES | FS(=O)(=O)C=1C=CC(=C(C(=O)O)C1)C |
| Synonyms | 5-(Fluorosulfonyl)-2-methylbenzoic acid,
21346-65-6,
NSC210270,
5-fluorosulfonyl-2-methylbenzoic acid,
AC1L7CY5,
DTXSID00308856,
AKOS023554188,
ZINC103525309,
FCH1402501,
NSC-210270,
VS-0018,
EN300-224334,
CID308469,
|
| 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