| CAS Number | 1240257-15-1 |
| Catalog Number | AG00HHHM(AGN-PC-0WAOSD) |
| Chemical Name | 2-Fluoro-5-(pentafluorosulfur)benzoic acid |
| IUPAC Name | 2-fluoro-5-(pentafluoro-λ6-sulfanyl)benzoic acid |
| InChI | InChI=1S/C7H4F6O2S/c8-6-2-1-4(3-5(6)7(14)15)16(9,10,11,12)13/h1-3H,(H,14,15) |
| InChI Key | HQONRARZDMQSRY-UHFFFAOYSA-N |
| MDL Number | MFCD16652494 |
| Molecular Formula | C7H4F6O2S |
| Molecular Weight | 266.1609 |
| SMILES | S(F)(F)(F)(F)(F)C1C=CC(=C(C(O)=O)C=1)F |
| Synonyms | 1240257-15-1,
2-Fluoro-5-(pentafluorosulfur)benzoic acid,
MFCD16652494,
ZINC97949960,
AKOS015957251,
JS-4064,
2-Fluoro-5-(pentafluorothio)benzoic acid,
PC302685,
2-FLUORO-5-(PENTAFLUORO-??-SULFANYL)BENZOIC ACID,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.157g/mol |
| Monoisotopic Mass | 265.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number