| CAS Number | 1393442-57-3 |
| Catalog Number | AG009X2Y(AGN-PC-0WQZ4Y) |
| Chemical Name | tert-Butyl 4-[(2,6-difluorophenyl)methyl]piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(2,6-difluorophenyl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C16H22F2N2O2/c1-16(2,3)22-15(21)20-9-7-19(8-10-20)11-12-13(17)5-4-6-14(12)18/h4-6H,7-11H2,1-3H3 |
| InChI Key | RWNPOHPAPYMBIX-UHFFFAOYSA-N |
| MDL Number | MFCD22383648 |
| Molecular Formula | C16H22F2N2O2 |
| Molecular Weight | 312.3549 |
| SMILES | O=C(N1CCN(CC1)Cc1c(F)cccc1F)OC(C)(C)C |
| Synonyms | TERT-BUTYL 4-[(2,6-DIFLUOROPHENYL)METHYL]PIPERAZINE-1-CARBOXYLATE,
1393442-57-3,
KM3526,
ZINC95494741,
AKOS027276513,
V2962,
C16H22F2N2O2,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.361g/mol |
| Monoisotopic Mass | 312.165g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number