| CAS Number | 1152523-46-0 |
| Catalog Number | AG01DV01 |
| Chemical Name | 2-(2-Fluorobenzenesulfonyl)acetic acid |
| IUPAC Name | 2-(2-fluorophenyl)sulfonylacetic acid |
| InChI | InChI=1S/C8H7FO4S/c9-6-3-1-2-4-7(6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChI Key | IHRONCAKXTYNOD-UHFFFAOYSA-N |
| MDL Number | MFCD10693125 |
| Molecular Formula | C8H7FO4S |
| Molecular Weight | 218.2022 |
| SMILES | OC(CS(C1=C(F)C=CC=C1)(=O)=O)=O |
| Synonyms | 2-(2-fluorobenzenesulfonyl)acetic acid,
1152523-46-0,
SCHEMBL16232168,
AKOS005205857,
|
| Complexity | 306 |
| 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 | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number