| CAS Number | 1516052-88-2 |
| Catalog Number | AG01B7TW(AGN-PC-0WOENP) |
| Chemical Name | 2-Fluoro-6-(methylthio)benzoic acid |
| IUPAC Name | 2-fluoro-6-methylsulfanylbenzoic acid |
| InChI | InChI=1S/C8H7FO2S/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11) |
| InChI Key | DWQAFIDDWAYLJW-UHFFFAOYSA-N |
| MDL Number | MFCD21944950 |
| Molecular Formula | C8H7FO2S |
| Molecular Weight | 186.2034 |
| SMILES | CSC1=C(C(O)=O)C(F)=CC=C1 |
| Synonyms | 2-fluoro-6-(methylsulfanyl)benzoic acid,
1516052-88-2,
2-fluoro-6-(methylthio)benzoic acid,
SCHEMBL20505081,
MFCD21944950,
ZINC59526838,
AKOS018067116,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.2g/mol |
| Monoisotopic Mass | 186.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number