| CAS Number | 115012-58-3 |
| Catalog Number | AG000FND(AGN-PC-015EV3) |
| Chemical Name | 1-(3-Chlorophenyl)piperidin-4-one |
| IUPAC Name | 1-(3-chlorophenyl)piperidin-4-one |
| InChI | InChI=1S/C11H12ClNO/c12-9-2-1-3-10(8-9)13-6-4-11(14)5-7-13/h1-3,8H,4-7H2 |
| InChI Key | JJYTZAMHBNGTOX-UHFFFAOYSA-N |
| MDL Number | MFCD05864573 |
| Molecular Formula | C11H12ClNO |
| Molecular Weight | 209.6721 |
| SMILES | N1(CCC(CC1)=O)C1C=CC=C(Cl)C=1 |
| Synonyms | 1-(3-CHLOROPHENYL)PIPERIDIN-4-ONE,
115012-58-3,
1-(3-chlorophenyl)-4-piperidinone,
1-(3-Chloro-Phenyl)-Piperidin-4-One,
AC1Q3I1E,
SCHEMBL1359568,
CTK4A9065,
DTXSID30587839,
JJYTZAMHBNGTOX-UHFFFAOYSA-N,
ZINC2559721,
MFCD05864573,
AKOS000177213,
4-Piperidinone, 1-(3-chlorophenyl)-,
AJ-40338,
Y-1963,
1-(3-chloro-phenyl)-piperidin-4-one, AldrichCPR,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.673g/mol |
| Monoisotopic Mass | 209.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number