| CAS Number | 941867-60-3 |
| Catalog Number | AG01AS1B(AGN-PC-0WCNX0) |
| Chemical Name | 1-(4-fluorobenzenesulfonyl)piperidine-4-carbonyl chloride |
| IUPAC Name | 1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl chloride |
| InChI | InChI=1S/C12H13ClFNO3S/c13-12(16)9-5-7-15(8-6-9)19(17,18)11-3-1-10(14)2-4-11/h1-4,9H,5-8H2 |
| InChI Key | JXGAKGUQYUVHPH-UHFFFAOYSA-N |
| MDL Number | MFCD09743226 |
| Molecular Formula | C12H13ClFNO3S |
| Molecular Weight | 305.7529 |
| SMILES | FC1=CC=C(S(N2CCC(C(Cl)=O)CC2)(=O)=O)C=C1 |
| Synonyms | 941867-60-3,
1-((4-fluorophenyl)sulfonyl)piperidine-4-carbonyl chloride,
ZINC11919997,
AKOS005206329,
F2146-0470,
1-(4-fluorobenzenesulfonyl)piperidine-4-carbonyl chloride,
1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl chloride,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.748g/mol |
| Monoisotopic Mass | 305.029g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number