| CAS Number | 1292317-56-6 |
| Catalog Number | AG009YZ7(AGN-PC-0WCMS7) |
| Chemical Name | Tert-butyl 4-(4-bromo-2-cyanophenoxy)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-bromo-2-cyanophenoxy)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H21BrN2O3/c1-17(2,3)23-16(21)20-8-6-14(7-9-20)22-15-5-4-13(18)10-12(15)11-19/h4-5,10,14H,6-9H2,1-3H3 |
| InChI Key | BPMGRWQZDOWTFR-UHFFFAOYSA-N |
| MDL Number | MFCD28142806 |
| Molecular Formula | C17H21BrN2O3 |
| Molecular Weight | 381.2642 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc(Br)cc1C#N |
| Synonyms | 1292317-56-6,
tert-butyl 4-(4-bromo-2-cyanophenoxy)piperidine-1-carboxylate,
tert-Butyl 4-(4-bromo-2-cyanophenoxy)-piperidine-1-carboxylate,
tert-butyl 4-(4-bromo-2-cyano-phenoxy)piperidine-1-carboxylate,
SCHEMBL1667168,
AMPD00099,
BPMGRWQZDOWTFR-UHFFFAOYSA-N,
MFCD28142806,
ZINC116812423,
AM85546,
CS-0035911,
D0128,
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| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.27g/mol |
| Monoisotopic Mass | 380.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^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