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88757-86-2 | Acetonitrile, [(7-iodo-2-methyl-5-nitro-8-quinolinyl)oxy]-
CAS No: 88757-86-2 Catalog No: AG004CEW MDL No:
Product Description
Catalog Number:
AG004CEW
Chemical Name:
Acetonitrile, [(7-iodo-2-methyl-5-nitro-8-quinolinyl)oxy]-
CAS Number:
88757-86-2
Molecular Formula:
C12H8IN3O3
Molecular Weight:
369.1147
IUPAC Name:
2-(7-iodo-2-methyl-5-nitroquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C12H8IN3O3/c1-7-2-3-8-10(16(17)18)6-9(13)12(11(8)15-7)19-5-4-14/h2-3,6H,5H2,1H3
InChI Key:
FPWGEISSNGOKRL-UHFFFAOYSA-N
SMILES:
N#CCOc1c(I)cc(c2c1nc(C)cc2)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.961g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.118g/mol
Monoisotopic Mass:
368.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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