| CAS Number | 1181512-39-9 |
| Catalog Number | AG019WB3 |
| Chemical Name | 3-Fluoro-5-nitrobenzene-1-sulfonamide |
| IUPAC Name | 3-fluoro-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H5FN2O4S/c7-4-1-5(9(10)11)3-6(2-4)14(8,12)13/h1-3H,(H2,8,12,13) |
| InChI Key | NGLZODITESTMCJ-UHFFFAOYSA-N |
| MDL Number | MFCD12912947 |
| Molecular Formula | C6H5FN2O4S |
| Molecular Weight | 220.1783 |
| SMILES | NS(C1=CC([N+]([O-])=O)=CC(F)=C1)(=O)=O |
| Synonyms | 3-fluoro-5-nitrobenzene-1-sulfonamide,
1181512-39-9,
AC1Q558K,
CTK7B8030,
ZINC36379744,
AKOS010188799,
MCULE-7993643980,
NE19912,
EN300-51302,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.174g/mol |
| Monoisotopic Mass | 219.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number