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Home > Nitro Compounds > 14094-45-2
14094-45-2 | Quinoline, 8-methyl-4-nitro-, 1-oxide
CAS No: 14094-45-2 Catalog No: AG001FOP MDL No:
Product Description
Catalog Number:
AG001FOP
Chemical Name:
Quinoline, 8-methyl-4-nitro-, 1-oxide
CAS Number:
14094-45-2
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
8-methyl-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C10H8N2O3/c1-7-3-2-4-8-9(12(14)15)5-6-11(13)10(7)8/h2-6H,1H3
InChI Key:
QWHBQAQVJHCYHB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[n+](c2c1cccc2C)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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