| CAS Number | 1082545-19-4 |
| Catalog Number | AG019WNU |
| Chemical Name | 1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-one |
| IUPAC Name | 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-one |
| InChI | InChI=1S/C12H13ClFNO/c13-11-2-1-3-12(14)10(11)8-15-6-4-9(16)5-7-15/h1-3H,4-8H2 |
| InChI Key | ZXSQLODBMKKLKU-UHFFFAOYSA-N |
| MDL Number | MFCD11586480 |
| Molecular Formula | C12H13ClFNO |
| Molecular Weight | 241.6891 |
| SMILES | FC1=C(CN2CCC(=O)CC2)C(Cl)=CC=C1 |
| Synonyms | 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-one,
1082545-19-4,
CTK7H4227,
ZINC19688258,
AKOS008953911,
MCULE-9328099725,
NE19027,
EN300-52556,
Z54749457,
AC1Q4L7S,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.06697g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.69g/mol |
| Monoisotopic Mass | 241.06697g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number