| CAS Number | 1989659-91-7 |
| Catalog Number | AG01B5NB |
| Chemical Name | 4-Amino-2-fluorobenzene-1-sulfonyl fluoride |
| IUPAC Name | 4-amino-2-fluorobenzenesulfonyl fluoride |
| InChI | InChI=1S/C6H5F2NO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H,9H2 |
| InChI Key | IDUVXPUMLXJMCN-UHFFFAOYSA-N |
| MDL Number | MFCD30342775 |
| Molecular Formula | C6H5F2NO2S |
| Molecular Weight | 193.1712 |
| SMILES | C1=CC(=C(C=C1N)F)S(=O)(=O)F |
| Synonyms | 4-amino-2-fluorobenzene-1-sulfonyl fluoride,
1989659-91-7,
ZINC521399008,
VS-0042,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.168g/mol |
| Monoisotopic Mass | 193.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number