| CAS Number | 436093-15-1 |
| Catalog Number | AG00I8C2(AGN-PC-0WCW7X) |
| Chemical Name | 1-(4-CHloro-benzoyl)-piperidine-3-carboxylic acid |
| IUPAC Name | 1-(4-chlorobenzoyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C13H14ClNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18) |
| InChI Key | DGUQEGBVTIEEKQ-UHFFFAOYSA-N |
| MDL Number | MFCD03966866 |
| Molecular Formula | C13H14ClNO3 |
| Molecular Weight | 267.7082 |
| SMILES | OC(C1CN(C(C2=CC=C(Cl)C=C2)=O)CCC1)=O |
| Synonyms | 1-(4-Chloro-benzoyl)-piperidine-3-carboxylic acid,
436093-15-1,
1-(4-chlorobenzoyl)piperidine-3-carboxylic acid,
Enamine_005231,
AC1NM46X,
AC1Q74HD,
CTK7I9332,
HMS1408N17,
ALBB-029750,
MFCD03966866,
AKOS000114626,
AKOS017268989,
MCULE-5680262334,
NE17873,
IDI1_007818,
EN300-00228,
3-piperidinecarboxylic acid, 1-(4-chlorobenzoyl)-,
Z56891257,
CID4996830,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.709g/mol |
| Monoisotopic Mass | 267.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number