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143954-73-8 | Quinoline, 4-bromo-6-nitro-2-(1-piperazinyl)-
CAS No: 143954-73-8 Catalog No: AG001INQ MDL No:
Product Description
Catalog Number:
AG001INQ
Chemical Name:
Quinoline, 4-bromo-6-nitro-2-(1-piperazinyl)-
CAS Number:
143954-73-8
Molecular Formula:
C13H13BrN4O2
Molecular Weight:
337.1719
IUPAC Name:
4-bromo-6-nitro-2-piperazin-1-ylquinoline
InChI:
InChI=1S/C13H13BrN4O2/c14-11-8-13(17-5-3-15-4-6-17)16-12-2-1-9(18(19)20)7-10(11)12/h1-2,7-8,15H,3-6H2
InChI Key:
NRCNLRMWSMFETI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(Br)cc(n2)N1CCNCC1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.022g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.177g/mol
Monoisotopic Mass:
336.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Syntheses and binding affinities of 6-nitroquipazine analogues for serotonin transporter. Part 2: 4-substituted 6-nitroquipazines. | Bioorganic & medicinal chemistry letters 20020311 |
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