| CAS Number | 1355246-86-4 |
| Catalog Number | AG009WME(AGN-PC-0J2C3I) |
| Chemical Name | 1-{[4-(4-Nitrophenyl)phenyl]carbonyl}piperidine |
| IUPAC Name | [4-(4-nitrophenyl)phenyl]-piperidin-1-ylmethanone |
| InChI | InChI=1S/C18H18N2O3/c21-18(19-12-2-1-3-13-19)16-6-4-14(5-7-16)15-8-10-17(11-9-15)20(22)23/h4-11H,1-3,12-13H2 |
| InChI Key | UVCXLNDAUQGSNL-UHFFFAOYSA-N |
| MDL Number | MFCD21332996 |
| Molecular Formula | C18H18N2O3 |
| Molecular Weight | 310.3471 |
| SMILES | O=C(c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-])N1CCCCC1 |
| Synonyms | 1355246-86-4,
1-{[4-(4-Nitrophenyl)phenyl]carbonyl}piperidine,
(4'-Nitro-[1,1'-biphenyl]-4-yl)(piperidin-1-yl)methanone,
ACMC-209c0y,
CTK8B0352,
DTXSID40742730,
ANW-19856,
MFCD21332996,
ZINC85210075,
AJ-126410,
AX8243090,
TC-108601,
Z9938,
B-9661,
(4'-Nitro[1,1'-biphenyl]-4-yl)(piperidin-1-yl)methanone,
C18H18N2O3,
1-{[4-(4-Nitrophenyl)phenyl]carbonyl},
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| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.353g/mol |
| Monoisotopic Mass | 310.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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