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Home > Nitro Compounds > 23484-01-7
23484-01-7 | Quinoline, 6-(1,1-dimethylethyl)-4-nitro-, 1-oxide
CAS No: 23484-01-7 Catalog No: AG002ND4 MDL No:
Product Description
Catalog Number:
AG002ND4
Chemical Name:
Quinoline, 6-(1,1-dimethylethyl)-4-nitro-, 1-oxide
CAS Number:
23484-01-7
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
6-tert-butyl-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C13H14N2O3/c1-13(2,3)9-4-5-11-10(8-9)12(15(17)18)6-7-14(11)16/h4-8H,1-3H3
InChI Key:
QUOJAXJCOKSDHL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[n+](c2c1cc(cc2)C(C)(C)C)[O-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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