| CAS Number | 722536-28-9 |
| Catalog Number | AG00IC8Z |
| Chemical Name | 4-Fluoro-2-nitrophenyl triflate |
| IUPAC Name | (4-fluoro-2-nitrophenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C7H3F4NO5S/c8-4-1-2-6(5(3-4)12(13)14)17-18(15,16)7(9,10)11/h1-3H |
| InChI Key | IZQXVKTUCAMOGF-UHFFFAOYSA-N |
| MDL Number | MFCD25541894 |
| Molecular Formula | C7H3F4NO5S |
| Molecular Weight | 289.1610 |
| SMILES | [O-][N+](=O)C1=C(OS(=O)(=O)C(F)(F)F)C=CC(F)=C1 |
| Synonyms | 722536-28-9,
4-fluoro-2-nitrophenyl trifluoromethanesulfonate,
FCH3086365,
PC50101,
PS-10403,
4-Fluoro-2-nitrophenyl triflate,
4-Fluoro-2-nitrophenyl trifluoromethanesulphonate,
SCHEMBL229088,
IZQXVKTUCAMOGF-UHFFFAOYSA-N,
ZX-AP002152,
MFCD25541894,
ZINC97957338,
AKOS027439676,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.157g/mol |
| Monoisotopic Mass | 288.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number