| CAS Number | 1334644-12-0 |
| Catalog Number | AG01C2GE |
| Chemical Name | 3-sulfamoylbenzene-1-sulfonyl fluoride |
| IUPAC Name | 3-sulfamoylbenzenesulfonyl fluoride |
| InChI | InChI=1S/C6H6FNO4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,8,11,12) |
| InChI Key | CWARYJSMFYLTFC-UHFFFAOYSA-N |
| MDL Number | MFCD20127082 |
| Molecular Formula | C6H6FNO4S2 |
| Molecular Weight | 239.2445 |
| SMILES | NS(C1=CC(S(F)(=O)=O)=CC=C1)(=O)=O |
| Synonyms | 3-sulfamoylbenzene-1-sulfonyl fluoride,
1334644-12-0,
ZINC101448137,
ES-2160,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.235g/mol |
| Monoisotopic Mass | 238.972g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number