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Home > Nitro Compounds > 86475-98-1
86475-98-1 | Quinoline, 6-ethyl-4-nitro-, 1-oxide
CAS No: 86475-98-1 Catalog No: AG004MPT MDL No:
Product Description
Catalog Number:
AG004MPT
Chemical Name:
Quinoline, 6-ethyl-4-nitro-, 1-oxide
CAS Number:
86475-98-1
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
6-ethyl-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C11H10N2O3/c1-2-8-3-4-10-9(7-8)11(13(15)16)5-6-12(10)14/h3-7H,2H2,1H3
InChI Key:
YUVZLZMEBUWWNR-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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