| CAS Number | 115012-47-0 |
| Catalog Number | AG000FNE(AGN-PC-03X8O8) |
| Chemical Name | 1-(2-Chlorophenyl)piperidin-4-one |
| IUPAC Name | 1-(2-chlorophenyl)piperidin-4-one |
| InChI | InChI=1S/C11H12ClNO/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h1-4H,5-8H2 |
| InChI Key | HHTPHQOFZKEEHP-UHFFFAOYSA-N |
| MDL Number | MFCD12024781 |
| Molecular Formula | C11H12ClNO |
| Molecular Weight | 209.6721 |
| SMILES | N1(CCC(CC1)=O)C1C=CC=CC=1Cl |
| Synonyms | 1-(2-Chlorophenyl)piperidin-4-one,
115012-47-0,
1-(2-chlorophenyl)-4-piperidinone,
CTK4A9064,
DTXSID30629667,
1-(2-Chlorophenyl)piperidine-4-one,
MFCD06804499,
ZINC19087726,
AKOS000183163,
4-Piperidinone, 1-(2-chlorophenyl)-,
AJ-70830,
DA-18879,
FT-0710239,
Y-2621,
1-(2-Chlorophenyl)piperidin-4-one, AldrichCPR,
|
| 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
| Symbol: |  |
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Hazard Class
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\N
|
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Hazard statements
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H302
|
|
Packing Group
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\N
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|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
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\N
|
Certificate of Analysis
Lot Number