| CAS Number | 1240257-94-6 |
| Catalog Number | AG00HHI9(AGN-PC-0WAORE) |
| Chemical Name | 2-Fluoro-5-(pentafluorosulfur)aniline |
| IUPAC Name | 2-fluoro-5-(pentafluoro-λ6-sulfanyl)aniline |
| InChI | InChI=1S/C6H5F6NS/c7-5-2-1-4(3-6(5)13)14(8,9,10,11)12/h1-3H,13H2 |
| InChI Key | YJMWVAKSHDJWAU-UHFFFAOYSA-N |
| MDL Number | MFCD16652446 |
| Molecular Formula | C6H5F6NS |
| Molecular Weight | 237.1660 |
| SMILES | S(F)(F)(F)(F)(F)C1C=CC(=C(N)C=1)F |
| Synonyms | 2-Fluoro-5-(pentafluorosulfur)aniline,
1240257-94-6,
MFCD16652446,
SCHEMBL16072520,
2-Fluoro-5-(pentafluorothio)aniline,
ZINC97950019,
AKOS015957082,
FCH1346550,
JS-4038,
PC405595,
2-FLUORO-5-(PENTAFLUORO-??-SULFANYL)ANILINE,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.163g/mol |
| Monoisotopic Mass | 237.005g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number