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Home > Nitro Compounds > 832101-98-1
832101-98-1 | Quinoline, 6-nitro-2-[(4-phenyl-1-piperazinyl)methyl]-
CAS No: 832101-98-1 Catalog No: AG0058NY MDL No:
Product Description
Catalog Number:
AG0058NY
Chemical Name:
Quinoline, 6-nitro-2-[(4-phenyl-1-piperazinyl)methyl]-
CAS Number:
832101-98-1
Molecular Formula:
C20H20N4O2
Molecular Weight:
348.3984
IUPAC Name:
6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinoline
InChI:
InChI=1S/C20H20N4O2/c25-24(26)19-8-9-20-16(14-19)6-7-17(21-20)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChI Key:
LYRLHBRLOOFCON-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccc(n2)CN1CCN(CC1)c1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.159g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.406g/mol
Monoisotopic Mass:
348.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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