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Home > Nitro Compounds > 128145-27-7
128145-27-7 | 8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-5-[2-(4-nitrophenyl)diazenyl]-
CAS No: 128145-27-7 Catalog No: AG000XTQ MDL No:
Product Description
Catalog Number:
AG000XTQ
Chemical Name:
8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-5-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
128145-27-7
Molecular Formula:
C26H32N4O3
Molecular Weight:
448.5573
IUPAC Name:
7-(5-ethylnonan-2-yl)-5-[(4-nitrophenyl)diazenyl]quinolin-8-ol
InChI:
InChI=1S/C26H32N4O3/c1-4-6-8-19(5-2)11-10-18(3)23-17-24(22-9-7-16-27-25(22)26(23)31)29-28-20-12-14-21(15-13-20)30(32)33/h7,9,12-19,31H,4-6,8,10-11H2,1-3H3
InChI Key:
XQPZPTODQWLYSC-UHFFFAOYSA-N
SMILES:
CCCCC(CCC(c1cc(N=Nc2ccc(cc2)[N+](=O)[O-])c2c(c1O)nccc2)C)CC
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.247g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.567g/mol
Monoisotopic Mass:
448.247g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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