| CAS Number | 1183324-12-0 |
| Catalog Number | AG01A1T4 |
| Chemical Name | 3-Fluoro-4-(propane-2-sulfonamido)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-fluoro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H11ClFNO4S2/c1-6(2)18(15,16)12-9-4-3-7(5-8(9)11)17(10,13)14/h3-6,12H,1-2H3 |
| InChI Key | BTHXPXSYVXNBOT-UHFFFAOYSA-N |
| MDL Number | MFCD13154971 |
| Molecular Formula | C9H11ClFNO4S2 |
| Molecular Weight | 315.7693 |
| SMILES | CC(S(NC1=C(F)C=C(S(Cl)(=O)=O)C=C1)(=O)=O)C |
| Synonyms | 3-fluoro-4-(propane-2-sulfonamido)benzene-1-sulfonyl chloride,
1183324-12-0,
ZINC100458323,
NE20392,
|
| Complexity | 480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.758g/mol |
| Monoisotopic Mass | 314.98g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number