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883522-59-6 | 4-bromo-2-nitro-(4-benzyl-1-piperazino)-benzene
CAS No: 883522-59-6 Catalog No: AG0045AT MDL No:MFCD06656553
Product Description
Catalog Number:
AG0045AT
Chemical Name:
4-bromo-2-nitro-(4-benzyl-1-piperazino)-benzene
CAS Number:
883522-59-6
Molecular Formula:
C17H18BrN3O2
Molecular Weight:
376.2477
MDL Number:
MFCD06656553
IUPAC Name:
1-benzyl-4-(4-bromo-2-nitrophenyl)piperazine
InChI:
InChI=1S/C17H18BrN3O2/c18-15-6-7-16(17(12-15)21(22)23)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChI Key:
YCSTXMIJSXRRHQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.058g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.254g/mol
Monoisotopic Mass:
375.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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