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Home > Nitro Compounds > 86475-99-2
86475-99-2 | 6-(1-METHYLETHYL)-4-NITROQUINOLINE 1-OXIDE
CAS No: 86475-99-2 Catalog No: AG004WHE MDL No:
Product Description
Catalog Number:
AG004WHE
Chemical Name:
6-(1-METHYLETHYL)-4-NITROQUINOLINE 1-OXIDE
CAS Number:
86475-99-2
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
4-nitro-1-oxido-6-propan-2-ylquinolin-1-ium
InChI:
InChI=1S/C12H12N2O3/c1-8(2)9-3-4-11-10(7-9)12(14(16)17)5-6-13(11)15/h3-8H,1-2H3
InChI Key:
XHTMHKSZSDFKBD-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-])C
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:
2.2
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