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88757-44-2 | Acetonitrile, [(5-iodo-8-quinolinyl)oxy]-
CAS No: 88757-44-2 Catalog No: AG004CI9 MDL No:
Product Description
Catalog Number:
AG004CI9
Chemical Name:
Acetonitrile, [(5-iodo-8-quinolinyl)oxy]-
CAS Number:
88757-44-2
Molecular Formula:
C11H7IN2O
Molecular Weight:
310.0906
IUPAC Name:
2-(5-iodoquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C11H7IN2O/c12-9-3-4-10(15-7-5-13)11-8(9)2-1-6-14-11/h1-4,6H,7H2
InChI Key:
YDBNLVCYBMLXBO-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c2c1nccc2)I
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.96g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.094g/mol
Monoisotopic Mass:
309.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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