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88757-58-8 | Propanenitrile, 2-[(5-chloro-7-iodo-8-quinolinyl)oxy]-
CAS No: 88757-58-8 Catalog No: AG004CI2 MDL No:
Product Description
Catalog Number:
AG004CI2
Chemical Name:
Propanenitrile, 2-[(5-chloro-7-iodo-8-quinolinyl)oxy]-
CAS Number:
88757-58-8
Molecular Formula:
C12H8ClIN2O
Molecular Weight:
358.5622
IUPAC Name:
2-(5-chloro-7-iodoquinolin-8-yl)oxypropanenitrile
InChI:
InChI=1S/C12H8ClIN2O/c1-7(6-15)17-12-10(14)5-9(13)8-3-2-4-16-11(8)12/h2-5,7H,1H3
InChI Key:
LICAWDADSBDMID-UHFFFAOYSA-N
SMILES:
N#CC(Oc1c(I)cc(c2c1nccc2)Cl)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.937g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.563g/mol
Monoisotopic Mass:
357.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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