| CAS Number | 1480786-28-4 |
| Catalog Number | AG01B36X |
| Chemical Name | 4-fluoro-3-(pyrrolidine-1-carbonyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C11H11ClFNO3S/c12-18(16,17)8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2 |
| InChI Key | CKCIDVLLZCLZDD-UHFFFAOYSA-N |
| MDL Number | MFCD21223918 |
| Molecular Formula | C11H11ClFNO3S |
| Molecular Weight | 291.7263 |
| SMILES | FC1=C(C(N2CCCC2)=O)C=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 4-fluoro-3-(pyrrolidine-1-carbonyl)benzene-1-sulfonyl chloride,
1480786-28-4,
AKOS014702658,
ZINC114558835,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.721g/mol |
| Monoisotopic Mass | 291.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number