| CAS Number | 1016700-87-0 |
| Catalog Number | AG019UVG |
| Chemical Name | 1-(2-chlorobenzoyl)piperidin-4-one |
| IUPAC Name | 1-(2-chlorobenzoyl)piperidin-4-one |
| InChI | InChI=1S/C12H12ClNO2/c13-11-4-2-1-3-10(11)12(16)14-7-5-9(15)6-8-14/h1-4H,5-8H2 |
| InChI Key | BSCVZXWTQZIDPE-UHFFFAOYSA-N |
| MDL Number | MFCD09931459 |
| Molecular Formula | C12H12ClNO2 |
| Molecular Weight | 237.6822 |
| SMILES | ClC1=C(C(N2CCC(=O)CC2)=O)C=CC=C1 |
| Synonyms | 1-(2-chlorobenzoyl)piperidin-4-one,
1-[(2-chlorophenyl)carbonyl]piperidin-4-one,
1016700-87-0,
AC1Q3HG5,
CTK7H4214,
ZINC19432462,
AKOS000170217,
MCULE-4354761031,
NE25697,
EN300-42957,
Z33618667,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.683g/mol |
| Monoisotopic Mass | 237.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number