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139593-11-6 | Quinoline, 5-(iodo-125I)-6-nitro-2-(1-piperazinyl)- (9CI)
CAS No: 139593-11-6 Catalog No: AG001BC6 MDL No:
Product Description
Catalog Number:
AG001BC6
Chemical Name:
Quinoline, 5-(iodo-125I)-6-nitro-2-(1-piperazinyl)- (9CI)
CAS Number:
139593-11-6
Molecular Formula:
C13H13IN4O2
Molecular Weight:
384.1724
IUPAC Name:
5-iodo-6-nitro-2-piperazin-1-ylquinoline
InChI:
InChI=1S/C13H13IN4O2/c14-13-9-1-4-12(17-7-5-15-6-8-17)16-10(9)2-3-11(13)18(19)20/h1-4,15H,5-8H2
InChI Key:
IRGBJHWMPCBAGK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1I)ccc(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:
384.008g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.177g/mol
Monoisotopic Mass:
384.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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