| CAS Number | 2488-50-8 |
| Catalog Number | AG00BS22(AGN-PC-0R0LH5) |
| Chemical Name | 5-Fluorosulfonyl-2-methoxybenzoic acid |
| IUPAC Name | 5-fluorosulfonyl-2-methoxybenzoic acid |
| InChI | InChI=1S/C8H7FO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11) |
| InChI Key | JKEBLZKYIOYFNV-UHFFFAOYSA-N |
| MDL Number | MFCD00065252 |
| Molecular Formula | C8H7FO5S |
| Molecular Weight | 234.2016 |
| NSC Number | 210257 |
| SMILES | FS(=O)(=O)C=1C=CC(=C(C(=O)O)C1)OC |
| Synonyms | o-Anisic acid, 5-(fluorosulfonyl)-,
5-(Fluorosulfonyl)-2-methoxybenzoic acid,
2488-50-8,
5-fluorosulfonyl-2-methoxybenzoic acid,
Benzoic acid, 5-(fluorosulfonyl)-2-methoxy-,
NSC210257,
AC1L7CX8,
AC1Q4C3D,
CTK8H8176,
DTXSID40308850,
JKEBLZKYIOYFNV-UHFFFAOYSA-N,
AKOS024332995,
ZINC100816446,
ES-2108,
MCULE-9437374993,
NSC-210257,
5-(Fluorosulfonyl)-2-methoxybenzoic acid #,
EN300-224347,
CID308458,
|
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number