| CAS Number | 938459-09-7 |
| Catalog Number | AG00GVQC(AGN-PC-0WB3NQ) |
| Chemical Name | 1-(3-Chloro-4-methylphenyl)piperidin-4-one |
| IUPAC Name | 1-(3-chloro-4-methylphenyl)piperidin-4-one |
| InChI | InChI=1S/C12H14ClNO/c1-9-2-3-10(8-12(9)13)14-6-4-11(15)5-7-14/h2-3,8H,4-7H2,1H3 |
| InChI Key | AQYBAIHPUWXOAS-UHFFFAOYSA-N |
| MDL Number | MFCD09055351 |
| Molecular Formula | C12H14ClNO |
| Molecular Weight | 223.6987 |
| SMILES | N1(CCC(CC1)=O)C1C=CC(=C(Cl)C=1)C |
| Synonyms | 1-(3-chloro-4-methylphenyl)piperidin-4-one,
938459-09-7,
1-(3-chloro-4-methylphenyl)-4-piperidinone,
CTK5H3517,
DTXSID20640806,
MFCD09055351,
ZINC19090656,
AKOS000177496,
AJ-71460,
Y-5171,
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| Complexity | 234 |
| 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 | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number