| CAS Number | 402-57-3 |
| Catalog Number | AG01ALSL(AGN-PC-0RMHWJ) |
| Chemical Name | 2-[4-(Fluorosulfonyl)phenyl]acetic acid |
| IUPAC Name | 2-(4-fluorosulfonylphenyl)acetic acid |
| InChI | InChI=1S/C8H7FO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChI Key | VARMWPGASRMINF-UHFFFAOYSA-N |
| MDL Number | MFCD24483006 |
| Molecular Formula | C8H7FO4S |
| Molecular Weight | 218.2022 |
| NSC Number | 210837 |
| SMILES | O=C(O)CC1=CC=C(S(=O)(F)=O)C=C1 |
| Synonyms | 2-[4-(fluorosulfonyl)phenyl]acetic acid,
402-57-3,
4-Fluorosulfonylphenylacetic acid,
NSC210837,
2-(4-fluorosulfonylphenyl)acetic acid,
AC1L7DLU,
SCHEMBL6704542,
DTXSID10309031,
VARMWPGASRMINF-UHFFFAOYSA-N,
ZINC105316292,
NSC-210837,
VS-0037,
CID308772,
|
| Complexity | 298 |
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number