| CAS Number | 349616-92-8 |
| Catalog Number | AG01A00Q |
| Chemical Name | Methyl 1-(3,4-dichlorobenzoyl)piperidine-4-carboxylate |
| IUPAC Name | methyl 1-(3,4-dichlorobenzoyl)piperidine-4-carboxylate |
| InChI | InChI=1S/C14H15Cl2NO3/c1-20-14(19)9-4-6-17(7-5-9)13(18)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3 |
| InChI Key | PJYQRGXTXWSQAU-UHFFFAOYSA-N |
| MDL Number | MFCD02861994 |
| Molecular Formula | C14H15Cl2NO3 |
| Molecular Weight | 316.1798 |
| SMILES | COC(C1CCN(C(C2=CC(Cl)=C(Cl)C=C2)=O)CC1)=O |
| Synonyms | Methyl 1-(3,4-dichlorobenzoyl)piperidine-4-carboxylate,
349616-92-8,
methyl 1-[(3,4-dichlorophenyl)carbonyl]piperidine-4-carboxylate,
AC1NQ59V,
Oprea1_574390,
ZINC5669528,
AKOS008934997,
MCULE-3668742090,
NE34502,
Z33462164,
CID5169854,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.178g/mol |
| Monoisotopic Mass | 315.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number