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Home > Bromides > 1160923-86-3
1160923-86-3 | 1-Piperazinecarboxylic acid, 4-[(6-bromo-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1160923-86-3 Catalog No: AG000BM0 MDL No:
Product Description
Catalog Number:
AG000BM0
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(6-bromo-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1160923-86-3
Molecular Formula:
C15H22BrN3O2
Molecular Weight:
356.2581
IUPAC Name:
tert-butyl 4-[(6-bromopyridin-3-yl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)11-12-4-5-13(16)17-10-12/h4-5,10H,6-9,11H2,1-3H3
InChI Key:
QRCIVOIEHSUADI-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccc(nc1)Br)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.264g/mol
Monoisotopic Mass:
355.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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