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912617-73-3 | Ethyl N-Boc-4-(4-bromobenzyl)piperidine-4-carboxylate
CAS No: 912617-73-3 Catalog No: AG003QFY MDL No:
Product Description
Catalog Number:
AG003QFY
Chemical Name:
Ethyl N-Boc-4-(4-bromobenzyl)piperidine-4-carboxylate
CAS Number:
912617-73-3
IUPAC Name:
1-O-tert-butyl 4-O-ethyl 4-[(4-bromophenyl)methyl]piperidine-1,4-dicarboxylate
InChI:
InChI=1S/C20H28BrNO4/c1-5-25-17(23)20(14-15-6-8-16(21)9-7-15)10-12-22(13-11-20)18(24)26-19(2,3)4/h6-9H,5,10-14H2,1-4H3
InChI Key:
DVFVYGOJZOUJJB-UHFFFAOYSA-N
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.12g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.351g/mol
Monoisotopic Mass:
425.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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