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Home > Nitro Compounds > 88775-82-0
88775-82-0 | Acetonitrile, [(5,7-dinitro-8-quinolinyl)oxy]-
CAS No: 88775-82-0 Catalog No: AG004CZM MDL No:
Product Description
Catalog Number:
AG004CZM
Chemical Name:
Acetonitrile, [(5,7-dinitro-8-quinolinyl)oxy]-
CAS Number:
88775-82-0
Molecular Formula:
C11H6N4O5
Molecular Weight:
274.1891
IUPAC Name:
2-(5,7-dinitroquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C11H6N4O5/c12-3-5-20-11-9(15(18)19)6-8(14(16)17)7-2-1-4-13-10(7)11/h1-2,4,6H,5H2
InChI Key:
HFHYWPIHTDUMMR-UHFFFAOYSA-N
SMILES:
N#CCOc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.034g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.192g/mol
Monoisotopic Mass:
274.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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