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Home > Nitro Compounds > 88757-88-4
88757-88-4 | Acetonitrile, [(2-methyl-5,7-dinitro-8-quinolinyl)oxy]-
CAS No: 88757-88-4 Catalog No: AG004CET MDL No:
Product Description
Catalog Number:
AG004CET
Chemical Name:
Acetonitrile, [(2-methyl-5,7-dinitro-8-quinolinyl)oxy]-
CAS Number:
88757-88-4
Molecular Formula:
C12H8N4O5
Molecular Weight:
288.2157
IUPAC Name:
2-(2-methyl-5,7-dinitroquinolin-8-yl)oxyacetonitrile
InChI:
InChI=1S/C12H8N4O5/c1-7-2-3-8-9(15(17)18)6-10(16(19)20)12(11(8)14-7)21-5-4-13/h2-3,6H,5H2,1H3
InChI Key:
ACXAEEGIUXJTJR-UHFFFAOYSA-N
SMILES:
N#CCOc1c(cc(c2c1nc(C)cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.219g/mol
Monoisotopic Mass:
288.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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