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86327-99-3 | 2-((8-Chloropyrido(2,3-d)pyridazin-5-yl)oxy)-N,N,N-triethylethanaminium iodide
CAS No: 86327-99-3 Catalog No: AG004MB9 MDL No:
Product Description
Catalog Number:
AG004MB9
Chemical Name:
2-((8-Chloropyrido(2,3-d)pyridazin-5-yl)oxy)-N,N,N-triethylethanaminium iodide
CAS Number:
86327-99-3
Molecular Formula:
C15H22ClIN4O
Molecular Weight:
436.7188
IUPAC Name:
2-(8-chloropyrido[2,3-d]pyridazin-5-yl)oxyethyl-triethylazanium;iodide
InChI:
InChI=1S/C15H22ClN4O.HI/c1-4-20(5-2,6-3)10-11-21-15-12-8-7-9-17-13(12)14(16)18-19-15;/h7-9H,4-6,10-11H2,1-3H3;1H/q+1;/p-1
InChI Key:
JSFBYXCQWVEJBJ-UHFFFAOYSA-M
SMILES:
CC[N+](CCOc1nnc(c2c1cccn2)Cl)(CC)CC.[I-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.053g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.722g/mol
Monoisotopic Mass:
436.053g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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