| CAS Number | 655-01-6 |
| Catalog Number | AG019TRQ |
| Chemical Name | 4-Fluoro-2-nitrobenzene-1-sulfonamide |
| IUPAC Name | 4-fluoro-2-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H5FN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13) |
| InChI Key | GSZNPWFQQBVGJP-UHFFFAOYSA-N |
| MDL Number | MFCD03618462 |
| Molecular Formula | C6H5FN2O4S |
| Molecular Weight | 220.1783 |
| SMILES | NS(C1=C([N+]([O-])=O)C=C(F)C=C1)(=O)=O |
| Synonyms | 4-fluoro-2-nitrobenzene-1-sulfonamide,
655-01-6,
4-FLUORO-2-NITROBENZENESULFONAMIDE,
CTK7B8455,
STL370520,
ZINC12970887,
AKOS000146607,
MCULE-2205605421,
NE12523,
Z45415645,
|
| 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