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Home > Bromides > 1017781-48-4
1017781-48-4 | 1-Piperidinecarboxylic acid, 4-[3-(3-bromophenyl)-1,3-dioxopropyl]-, 1,1-dimethylethyl ester
CAS No: 1017781-48-4 Catalog No: AG0005HY MDL No:MFCD09997717
Product Description
Catalog Number:
AG0005HY
Chemical Name:
1-Piperidinecarboxylic acid, 4-[3-(3-bromophenyl)-1,3-dioxopropyl]-, 1,1-dimethylethyl ester
CAS Number:
1017781-48-4
Molecular Formula:
C19H24BrNO4
Molecular Weight:
410.3022
MDL Number:
MFCD09997717
IUPAC Name:
tert-butyl 4-[3-(3-bromophenyl)-3-oxopropanoyl]piperidine-1-carboxylate
InChI:
InChI=1S/C19H24BrNO4/c1-19(2,3)25-18(24)21-9-7-13(8-10-21)16(22)12-17(23)14-5-4-6-15(20)11-14/h4-6,11,13H,7-10,12H2,1-3H3
InChI Key:
XKWPPRAWPJQLKY-UHFFFAOYSA-N
SMILES:
O=C(C1CCN(CC1)C(=O)OC(C)(C)C)CC(=O)c1cccc(c1)Br
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.308g/mol
Monoisotopic Mass:
409.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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