| CAS Number | 1211578-68-5 |
| Catalog Number | AG00HFZ2(AGN-PC-0WAOQM) |
| Chemical Name | 3-(Pentafluorosulfur)phenylacetic acid |
| IUPAC Name | 2-[3-(pentafluoro-λ6-sulfanyl)phenyl]acetic acid |
| InChI | InChI=1S/C8H7F5O2S/c9-16(10,11,12,13)7-3-1-2-6(4-7)5-8(14)15/h1-4H,5H2,(H,14,15) |
| InChI Key | MUXKXZMWGCIFAW-UHFFFAOYSA-N |
| MDL Number | MFCD16652414 |
| Molecular Formula | C8H7F5O2S |
| Molecular Weight | 262.1970 |
| SMILES | S(F)(F)(F)(F)(F)C1C=CC=C(CC(O)=O)C=1 |
| Synonyms | 3-(Pentafluorosulfur)phenylacetic acid,
1211578-68-5,
MFCD16652414,
3-(Pentafluorothio)phenylacetic acid,
ZINC97949954,
AKOS015956804,
JS-4085,
PC405661,
2-[3-(pentafluoro-??-sulfanyl)phenyl]acetic acid,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.194g/mol |
| Monoisotopic Mass | 262.009g/mol |
| Rotatable Bond Count | 2 |
| 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