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Home > Bromides > 1008505-52-9
1008505-52-9 | tert-Butyl 4-(4-bromobenzamido)piperidine-1-carboxylate
CAS No: 1008505-52-9 Catalog No: AG01F7MI MDL No:
Product Description
Catalog Number:
AG01F7MI
Chemical Name:
tert-Butyl 4-(4-bromobenzamido)piperidine-1-carboxylate
CAS Number:
1008505-52-9
Molecular Formula:
C17H23BrN2O3
Molecular Weight:
383.2801
IUPAC Name:
tert-butyl 4-[(4-bromobenzoyl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H23BrN2O3/c1-17(2,3)23-16(22)20-10-8-14(9-11-20)19-15(21)12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,19,21)
InChI Key:
WLFJKGHSWMUPNM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.286g/mol
Monoisotopic Mass:
382.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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