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Home > Bromides > 1291487-19-8
1291487-19-8 | 1-Piperazinecarboxylic acid, 4-[2-(4-bromophenyl)-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS No: 1291487-19-8 Catalog No: AG000YWU MDL No:MFCD18837615
Product Description
Catalog Number:
AG000YWU
Chemical Name:
1-Piperazinecarboxylic acid, 4-[2-(4-bromophenyl)-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS Number:
1291487-19-8
Molecular Formula:
C17H23BrN2O3
Molecular Weight:
383.2801
MDL Number:
MFCD18837615
IUPAC Name:
tert-butyl 4-[2-(4-bromophenyl)-2-oxoethyl]piperazine-1-carboxylate
InChI:
InChI=1S/C17H23BrN2O3/c1-17(2,3)23-16(22)20-10-8-19(9-11-20)12-15(21)13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3
InChI Key:
ARWWJZJCXZYSSE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)CN1CCN(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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.286g/mol
Monoisotopic Mass:
382.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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