| CAS Number | 565459-90-7 |
| Catalog Number | AG00IA3F(AGN-PC-03H31V) |
| Chemical Name | 1-(2,6-Difluoro-4-nitrophenyl)piperidin-4-one |
| IUPAC Name | 1-(2,6-difluoro-4-nitrophenyl)piperidin-4-one |
| InChI | InChI=1S/C11H10F2N2O3/c12-9-5-7(15(17)18)6-10(13)11(9)14-3-1-8(16)2-4-14/h5-6H,1-4H2 |
| InChI Key | LKKUBECGUXCFGH-UHFFFAOYSA-N |
| MDL Number | MFCD11039947 |
| Molecular Formula | C11H10F2N2O3 |
| Molecular Weight | 256.2055 |
| SMILES | O=C1CCN(C2=C(F)C=C([N+]([O-])=O)C=C2F)CC1 |
| Synonyms | 1-(2,6-difluoro-4-nitrophenyl)piperidin-4-one,
565459-90-7,
SCHEMBL239465,
LKKUBECGUXCFGH-UHFFFAOYSA-N,
MFCD11039947,
ZINC113367822,
1-(2,6-difluoro -4-nitrophenyl)piperidin-4-one,
1-(2,6-Difluoro-4-nitrophenyl)-piperidin-4-one,
4-Piperidinone,1-(2,6-difluoro-4-nitrophenyl)-,
4-Piperidinone, 1-(2,6-difluoro-4-nitrophenyl)-,
1-(2,6-difluoro-4-nitro-phenyl)-piperidin-4-one,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.209g/mol |
| Monoisotopic Mass | 256.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number