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88757-50-0 | Acetonitrile, [(5-iodo-2-methyl-8-quinolinyl)oxy]-
CAS No: 88757-50-0 Catalog No: AG004CM7 MDL No:
Product Description
Catalog Number:
AG004CM7
Chemical Name:
Acetonitrile, [(5-iodo-2-methyl-8-quinolinyl)oxy]-
CAS Number:
88757-50-0
Molecular Formula:
C12H9IN2O
Molecular Weight:
324.1171
IUPAC Name:
2-(5-iodo-2-methylquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C12H9IN2O/c1-8-2-3-9-10(13)4-5-11(12(9)15-8)16-7-6-14/h2-5H,7H2,1H3
InChI Key:
WCNUIMZGGKXLEZ-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c2c1nc(C)cc2)I
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.976g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.121g/mol
Monoisotopic Mass:
323.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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