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769944-78-7 | 1-N-Boc-4-(4-Bromophenyl)Piperidine
CAS No: 769944-78-7 Catalog No: AG0032TK MDL No:MFCD09878774
Product Description
Catalog Number:
AG0032TK
Chemical Name:
1-N-Boc-4-(4-Bromophenyl)Piperidine
CAS Number:
769944-78-7
Molecular Formula:
C16H22BrNO2
Molecular Weight:
340.2554
MDL Number:
MFCD09878774
IUPAC Name:
tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
InChI Key:
UEOHLUHRQWYQRT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.261g/mol
Monoisotopic Mass:
339.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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