| CAS Number | 140616-29-1 |
| Catalog Number | AG01A223(AGN-PC-0JXRW9) |
| Chemical Name | Ethyl 4-(2-fluorophenyl)piperazine-1-carboxylate |
| IUPAC Name | ethyl 4-(2-fluorophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C13H17FN2O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-6-4-3-5-11(12)14/h3-6H,2,7-10H2,1H3 |
| InChI Key | ZBDWXPSNWHESCH-UHFFFAOYSA-N |
| MDL Number | MFCD03390551 |
| Molecular Formula | C13H17FN2O2 |
| Molecular Weight | 252.2847 |
| SMILES | CCOC(N1CCN(C2=C(F)C=CC=C2)CC1)=O |
| Synonyms | ethyl 4-(2-fluorophenyl)piperazine-1-carboxylate,
140616-29-1,
AC1LI4LD,
Cambridge id 7256719,
Oprea1_737831,
ZINC475461,
STK432479,
AKOS003274358,
MCULE-2523243970,
NE58691,
ST50926715,
ethyl 4-(2-fluorophenyl)piperazinecarboxylate,
SR-01000256432,
SR-01000256432-1,
Z31761257,
CID897698,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.289g/mol |
| Monoisotopic Mass | 252.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number