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Home > Nitro Compounds > 86475-97-0
86475-97-0 | 2-(1-METHYLETHYL)-4-NITROQUINOLINE 1-OXIDE
CAS No: 86475-97-0 Catalog No: AG004WHF MDL No:
Product Description
Catalog Number:
AG004WHF
Chemical Name:
2-(1-METHYLETHYL)-4-NITROQUINOLINE 1-OXIDE
CAS Number:
86475-97-0
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
4-nitro-1-oxido-2-propan-2-ylquinolin-1-ium
InChI:
InChI=1S/C12H12N2O3/c1-8(2)11-7-12(14(16)17)9-5-3-4-6-10(9)13(11)15/h3-8H,1-2H3
InChI Key:
BZKWGCZRHFKJBG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(C)C)[n+](c2c1cccc2)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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