| CAS Number | 727717-65-9 |
| Catalog Number | AG019IKW(AGN-PC-0KH49Q) |
| Chemical Name | 1-(2-Fluorobenzenesulfonyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C12H14FNO4S/c13-10-3-1-2-4-11(10)19(17,18)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16) |
| InChI Key | KVTMJSLAIYWPFK-UHFFFAOYSA-N |
| MDL Number | MFCD04619479 |
| Molecular Formula | C12H14FNO4S |
| Molecular Weight | 287.3073 |
| SMILES | OC(C1CCN(S(C2=C(F)C=CC=C2)(=O)=O)CC1)=O |
| Synonyms | 1-(2-fluorobenzenesulfonyl)piperidine-4-carboxylic acid,
727717-65-9,
1-[(2-fluorophenyl)sulfonyl]piperidine-4-carboxylic acid,
AC1M8I8M,
AC1Q74NL,
1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylic Acid,
CTK7J0283,
ZINC3369480,
AKOS008940432,
MCULE-1456666650,
NE41996,
EN300-07009,
SR-01000046577,
SR-01000046577-1,
Z45524852,
1-[(2-fluorobenzene)sulfonyl]piperidine-4-carboxylic acid,
CID2487309,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.305g/mol |
| Monoisotopic Mass | 287.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number