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296759-25-6 | Quinoline, 6-iodo-2-(1-piperazinyl)-
CAS No: 296759-25-6 Catalog No: AG002Z1Y MDL No:MFCD04115266
Product Description
Catalog Number:
AG002Z1Y
Chemical Name:
Quinoline, 6-iodo-2-(1-piperazinyl)-
CAS Number:
296759-25-6
Molecular Formula:
C13H14IN3
Molecular Weight:
339.1748
MDL Number:
MFCD04115266
IUPAC Name:
6-iodo-2-piperazin-1-ylquinoline
InChI:
InChI=1S/C13H14IN3/c14-11-2-3-12-10(9-11)1-4-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChI Key:
BZVOKNDAJHHFPT-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)ccc(n2)N1CCNCC1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.18g/mol
Monoisotopic Mass:
339.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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