| CAS Number | 1414029-14-3 |
| Catalog Number | AG009X4V(AGN-PC-0WADXT) |
| Chemical Name | Methyl 4-fluoro-3-[4-(piperidinocarbonyl)phenyl]benzoate |
| IUPAC Name | methyl 4-fluoro-3-[4-(piperidine-1-carbonyl)phenyl]benzoate |
| InChI | InChI=1S/C20H20FNO3/c1-25-20(24)16-9-10-18(21)17(13-16)14-5-7-15(8-6-14)19(23)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3 |
| InChI Key | WOEFCLYPXUCRKJ-UHFFFAOYSA-N |
| MDL Number | MFCD22574951 |
| Molecular Formula | C20H20FNO3 |
| Molecular Weight | 341.3761 |
| SMILES | COC(=O)c1ccc(c(c1)c1ccc(cc1)C(=O)N1CCCCC1)F |
| Synonyms | Methyl 4-fluoro-3-[4-(piperidinocarbonyl)phenyl]benzoate,
1414029-14-3,
ZINC95218001,
AKOS026673295,
V3094,
C20H20FNO3,
|
| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.382g/mol |
| Monoisotopic Mass | 341.143g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number