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Home > Nitro Compounds > 85017-55-6
85017-55-6 | Pyridine, 4-[(4-nitrophenyl)azo]-, 1-oxide
CAS No: 85017-55-6 Catalog No: AG0050P0 MDL No:
Product Description
Catalog Number:
AG0050P0
Chemical Name:
Pyridine, 4-[(4-nitrophenyl)azo]-, 1-oxide
CAS Number:
85017-55-6
Molecular Formula:
C11H8N4O3
Molecular Weight:
244.2062
IUPAC Name:
(4-nitrophenyl)-(1-oxidopyridin-1-ium-4-yl)diazene
InChI:
InChI=1S/C11H8N4O3/c16-14-7-5-10(6-8-14)13-12-9-1-3-11(4-2-9)15(17)18/h1-8H
InChI Key:
VMRSTUPQJNTTAD-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.21g/mol
Monoisotopic Mass:
244.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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