| CAS Number | 477259-57-7 |
| Catalog Number | AG01EIUT(AGN-PC-0DHJ4Y) |
| Chemical Name | 4-[3-(trifluoroacetamido)propyl]benzene-1-sulfonyl chloride |
| IUPAC Name | 4-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzenesulfonyl chloride |
| InChI | InChI=1S/C11H11ClF3NO3S/c12-20(18,19)9-5-3-8(4-6-9)2-1-7-16-10(17)11(13,14)15/h3-6H,1-2,7H2,(H,16,17) |
| InChI Key | WXTPYQXMRLGPJW-UHFFFAOYSA-N |
| MDL Number | MFCD18466781 |
| Molecular Formula | C11H11ClF3NO3S |
| Molecular Weight | 329.7231 |
| SMILES | FC(C(NCCCC1=CC=C(S(Cl)(=O)=O)C=C1)=O)(F)F |
| Synonyms | SCHEMBL6541431,
WXTPYQXMRLGPJW-UHFFFAOYSA-N,
AKOS010228420,
4-[3-(trifluoroacetamido)propyl]benzene-1-sulfonyl chloride,
4-[3-[(trifluoroacetyl)amino]propyl]benzenesulfonyl chloride,
477259-57-7,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.718g/mol |
| Monoisotopic Mass | 329.01g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number