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Home > Bromides > 1289388-42-6
1289388-42-6 | 4-(6-Bromo-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CAS No: 1289388-42-6 Catalog No: AG01F3Y1 MDL No:
Product Description
Catalog Number:
AG01F3Y1
Chemical Name:
4-(6-Bromo-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
1289388-42-6
Molecular Formula:
C15H22BrN3O2
Molecular Weight:
356.2581
IUPAC Name:
tert-butyl 4-(6-bromopyridin-2-yl)-2-methylpiperazine-1-carboxylate
InChI:
InChI=1S/C15H22BrN3O2/c1-11-10-18(13-7-5-6-12(16)17-13)8-9-19(11)14(20)21-15(2,3)4/h5-7,11H,8-10H2,1-4H3
InChI Key:
SQDUYEDKGPSFGF-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)N1CCN(C(C1)C)C(=O)OC(C)(C)C
Properties
Complexity:
372
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:
3
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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