| CAS Number | 1260766-37-7 |
| Catalog Number | AG000R6N(AGN-PC-09ROP1) |
| Chemical Name | 3-(2-Chlorobenzyl)-2-piperidone |
| IUPAC Name | 3-[(2-chlorophenyl)methyl]piperidin-2-one |
| InChI | InChI=1S/C12H14ClNO/c13-11-6-2-1-4-9(11)8-10-5-3-7-14-12(10)15/h1-2,4,6,10H,3,5,7-8H2,(H,14,15) |
| InChI Key | XKDPJVJYJGYBLU-UHFFFAOYSA-N |
| MDL Number | MFCD13195444 |
| Molecular Formula | C12H14ClNO |
| Molecular Weight | 223.6987 |
| SMILES | ClC1=C(CC2C(=O)NCCC2)C=CC=C1 |
| Synonyms | 3-(2-Chlorobenzyl)-2-piperidone,
1260766-37-7,
3-[(2-chlorophenyl)methyl]piperidin-2-one,
AKOS027256745,
MCULE-3935763375,
NE29664,
SC-36185,
SY028582,
3-(2-CHLOROBENZYL)PIPERIDIN-2-ONE,
MFCD11848668 (95%),
2-Piperidinone, 3-[(2-chlorophenyl)methyl]-,
Z1839480564,
2-(Allyloxy)-6-bromo-4-methoxybenzyl Alcohol,
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| Complexity | 232 |
| 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 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.7g/mol |
| Monoisotopic Mass | 223.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number