| CAS Number | 881823-44-5 |
| Catalog Number | AG019ZE7 |
| Chemical Name | 2-fluoro-5-nitrobenzene-1-sulfonamide |
| IUPAC Name | 2-fluoro-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H5FN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13) |
| InChI Key | BSZQFSAYLOJFHR-UHFFFAOYSA-N |
| MDL Number | MFCD00462106 |
| Molecular Formula | C6H5FN2O4S |
| Molecular Weight | 220.1783 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)N)F |
| Synonyms | 2-fluoro-5-nitrobenzene-1-sulfonamide,
2-fluoro-5-nitrobenzenesulfonamide,
AKOS009345138,
MCULE-5090758232,
NE28392,
ZINC05553438,
CID7730324,
881823-44-5,
AC1ORR1E,
SCHEMBL3121543,
BSZQFSAYLOJFHR-UHFFFAOYSA-N,
ZINC5553438,
2-Fluoro-5-nitro-benzenesulfonamide,
3-aminosulfonyl-4-fluoronitrobenzene,
MFCD00462106,
|
| 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