| CAS Number | 1094563-55-9 |
| Catalog Number | AG01AMS3 |
| Chemical Name | 4-chloro-2-fluoro-N-propylbenzene-1-sulfonamide |
| IUPAC Name | 4-chloro-2-fluoro-N-propylbenzenesulfonamide |
| InChI | InChI=1S/C9H11ClFNO2S/c1-2-5-12-15(13,14)9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3 |
| InChI Key | SCLZMNYGMMWSGJ-UHFFFAOYSA-N |
| MDL Number | MFCD11618352 |
| Molecular Formula | C9H11ClFNO2S |
| Molecular Weight | 251.7055 |
| SMILES | CCCNS(C1=C(F)C=C(Cl)C=C1)(=O)=O |
| Synonyms | 4-chloro-2-fluoro-N-propylbenzene-1-sulfonamide,
1094563-55-9,
AC1P8FYA,
ZINC7376513,
AKOS008942497,
4-chloro-2-fluoro-N-propylbenzenesulfonamide,
ZINC07376513,
CID8470437,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.7g/mol |
| Monoisotopic Mass | 251.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number