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88757-79-3 | Acetonitrile, [(5,7-diiodo-8-quinolinyl)oxy]-
CAS No: 88757-79-3 Catalog No: AG004CLW MDL No:
Product Description
Catalog Number:
AG004CLW
Chemical Name:
Acetonitrile, [(5,7-diiodo-8-quinolinyl)oxy]-
CAS Number:
88757-79-3
Molecular Formula:
C11H6I2N2O
Molecular Weight:
435.9871
IUPAC Name:
2-(5,7-diiodoquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C11H6I2N2O/c12-8-6-9(13)11(16-5-3-14)10-7(8)2-1-4-15-10/h1-2,4,6H,5H2
InChI Key:
PKWCKXBAEOUXFZ-UHFFFAOYSA-N
SMILES:
N#CCOc1c(I)cc(c2c1nccc2)I
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.857g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.991g/mol
Monoisotopic Mass:
435.857g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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