| CAS Number | 135576-51-1 |
| Catalog Number | AG007ZI7(AGN-PC-00IS7G) |
| Chemical Name | 1-(2-Chlorobenzyl)piperidin-4-one |
| IUPAC Name | 1-[(2-chlorophenyl)methyl]piperidin-4-one |
| InChI | InChI=1S/C12H14ClNO/c13-12-4-2-1-3-10(12)9-14-7-5-11(15)6-8-14/h1-4H,5-9H2 |
| InChI Key | KFEWRNNUYYDFIO-UHFFFAOYSA-N |
| MDL Number | MFCD09935931 |
| Molecular Formula | C12H14ClNO |
| Molecular Weight | 223.6987 |
| SMILES | ClC1=C(CN2CCC(=O)CC2)C=CC=C1 |
| Synonyms | 1-[(2-chlorophenyl)methyl]piperidin-4-one,
135576-51-1,
4-Piperidinone, 1-[(2-chlorophenyl)methyl]-,
ACMC-20mvta,
AC1Q3HQY,
SCHEMBL5675319,
CTK0B9741,
DTXSID20474789,
KFEWRNNUYYDFIO-UHFFFAOYSA-N,
1-(2-Chlorobenzyl)-4-piperidone,
1-(2-Chlorobenzyl)piperidin-4-one,
ZINC19471919,
AKOS000178280,
MCULE-9009732151,
NE32989,
EN300-43199,
Z54749067,
CID11959531,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.7g/mol |
| Monoisotopic Mass | 223.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number