| CAS Number | 1228631-50-2 |
| Catalog Number | AG009CPO(AGN-PC-0WC8RS) |
| Chemical Name | tert-butyl 4-(5-chloro-2-fluorobenzoyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-chloro-2-fluorobenzoyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H21ClFNO3/c1-17(2,3)23-16(22)20-8-6-11(7-9-20)15(21)13-10-12(18)4-5-14(13)19/h4-5,10-11H,6-9H2,1-3H3 |
| InChI Key | ZUVISJLRELDWKI-UHFFFAOYSA-N |
| MDL Number | MFCD16618544 |
| Molecular Formula | C17H21ClFNO3 |
| Molecular Weight | 341.8049 |
| SMILES | O=C(N1CCC(C(C2=CC(Cl)=CC=C2F)=O)CC1)OC(C)(C)C |
| Synonyms | TERT-BUTYL 4-(5-CHLORO-2-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE,
1228631-50-2,
tert-Butyl 4-(5-chloro-2-fluorobenzoyl)-piperidine-1-carboxylate,
W-205155,
ZUVISJLRELDWKI-UHFFFAOYSA-N,
C17H21ClFNO3,
SCHEMBL16818362,
DTXSID60678320,
2588AD,
MFCD16618544,
ZINC72194179,
AKOS015949391,
CS-W001348,
RP07932,
PC430278,
FT-0685071,
J-524641,
t-Butyl 4-(5-chloro-2-fluorobenzoyl)piperidine-1-carboxylate,
tert-Butyl 4-(5-chloro-2-fluorobenzoyl)piperidin-1-carboxylate,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.807g/mol |
| Monoisotopic Mass | 341.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^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
Lot Number