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87780-39-0 | 2-Pyridinamine, N-[(4-nitrophenyl)methylene]-, 1-oxide
CAS No: 87780-39-0 Catalog No: AG004FAH MDL No:
Product Description
Catalog Number:
AG004FAH
Chemical Name:
2-Pyridinamine, N-[(4-nitrophenyl)methylene]-, 1-oxide
CAS Number:
87780-39-0
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
1-(4-nitrophenyl)-N-(1-oxidopyridin-1-ium-2-yl)methanimine
InChI:
InChI=1S/C12H9N3O3/c16-14-8-2-1-3-12(14)13-9-10-4-6-11(7-5-10)15(17)18/h1-9H
InChI Key:
DEHGXJYQTMDJDO-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccccc1N=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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