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Home > Nitro Compounds > 88757-90-8
88757-90-8 | Acetonitrile, [(5-nitro-8-quinolinyl)oxy]-
CAS No: 88757-90-8 Catalog No: AG004CEP MDL No:
Product Description
Catalog Number:
AG004CEP
Chemical Name:
Acetonitrile, [(5-nitro-8-quinolinyl)oxy]-
CAS Number:
88757-90-8
Molecular Formula:
C11H7N3O3
Molecular Weight:
229.1916
IUPAC Name:
2-(5-nitroquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C11H7N3O3/c12-5-7-17-10-4-3-9(14(15)16)8-2-1-6-13-11(8)10/h1-4,6H,7H2
InChI Key:
LGHNMMOCWYOKFR-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c2c1nccc2)[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.195g/mol
Monoisotopic Mass:
229.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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