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88757-65-7 | Acetonitrile, [(7-chloro-5-iodo-8-quinolinyl)oxy]-
CAS No: 88757-65-7 Catalog No: AG004EUM MDL No:
Product Description
Catalog Number:
AG004EUM
Chemical Name:
Acetonitrile, [(7-chloro-5-iodo-8-quinolinyl)oxy]-
CAS Number:
88757-65-7
Molecular Formula:
C11H6ClIN2O
Molecular Weight:
344.5356
IUPAC Name:
2-(7-chloro-5-iodoquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C11H6ClIN2O/c12-8-6-9(13)7-2-1-4-15-10(7)11(8)16-5-3-14/h1-2,4,6H,5H2
InChI Key:
JDOPITFLAZJQLV-UHFFFAOYSA-N
SMILES:
N#CCOc1c(Cl)cc(c2c1nccc2)I
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.921g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.536g/mol
Monoisotopic Mass:
343.921g/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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