| CAS Number | 500585-16-0 |
| Catalog Number | AG00DAJK(AGN-PC-0JP7DY) |
| Chemical Name | 4-fluoro-3-nitrobenzene-1-sulfonyl fluoride |
| IUPAC Name | 4-fluoro-3-nitrobenzenesulfonyl fluoride |
| InChI | InChI=1S/C6H3F2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H |
| InChI Key | FETWBEYHAMXIHF-UHFFFAOYSA-N |
| MDL Number | MFCD07777175 |
| Molecular Formula | C6H3F2NO4S |
| Molecular Weight | 223.1541 |
| NSC Number | 140075 |
| SMILES | [O-][N+](C1=C(F)C=CC(S(F)(=O)=O)=C1)=O |
| Synonyms | 500585-16-0,
4-fluoro-3-nitrobenzenesulfonyl fluoride,
4-Fluoro-3-nitro-benzenesulfonyl fluoride,
4-fluoro-3-nitrobenzene-1-sulfonyl fluoride,
NSC140075,
4-fluoro-3-nitro-benzenesulfonylfluoride,
AC1L60HU,
CTK5I2590,
DTXSID10300942,
MFCD07777175,
ZINC100503119,
ES-2114,
FCH1385427,
NSC-140075,
4-fluoro-3-nitrobenzene sulfonylfluoride,
ACM500585160,
CID284279,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.15g/mol |
| Monoisotopic Mass | 222.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number