| CAS Number | 21864-49-3 |
| Catalog Number | AG01AMKU |
| Chemical Name | 3-(4-(Fluorosulfonyl)phenyl)propanoic acid |
| IUPAC Name | 3-(4-fluorosulfonylphenyl)propanoic acid |
| InChI | InChI=1S/C9H9FO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12) |
| InChI Key | YRHOCAXPYRDPPX-UHFFFAOYSA-N |
| MDL Number | MFCD22192526 |
| Molecular Formula | C9H9FO4S |
| Molecular Weight | 232.2288 |
| SMILES | O=C(O)CCC1=CC=C(S(=O)(F)=O)C=C1 |
| Synonyms | 3-[4-(fluorosulfonyl)phenyl]propanoic acid,
21864-49-3,
SCHEMBL19207331,
ZINC238857293,
VS-0017,
EN300-224322,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.225g/mol |
| Monoisotopic Mass | 232.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number