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Home > Nitro Compounds > 88757-93-1
88757-93-1 | Acetonitrile, [(2-methyl-5-nitro-8-quinolinyl)oxy]-
CAS No: 88757-93-1 Catalog No: AG004CEO MDL No:
Product Description
Catalog Number:
AG004CEO
Chemical Name:
Acetonitrile, [(2-methyl-5-nitro-8-quinolinyl)oxy]-
CAS Number:
88757-93-1
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
2-(2-methyl-5-nitroquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C12H9N3O3/c1-8-2-3-9-10(15(16)17)4-5-11(12(9)14-8)18-7-6-13/h2-5H,7H2,1H3
InChI Key:
LOKKMXKBZRDFML-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c2c1nc(C)cc2)[N+](=O)[O-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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