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113509-58-3 | 2-Pyridinamine, N-methyl-5-nitro-, 1-oxide
CAS No: 113509-58-3 Catalog No: AG0008UJ MDL No:
Product Description
Catalog Number:
AG0008UJ
Chemical Name:
2-Pyridinamine, N-methyl-5-nitro-, 1-oxide
CAS Number:
113509-58-3
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
IUPAC Name:
1-hydroxy-N-methyl-5-nitropyridin-2-imine
InChI:
InChI=1S/C6H7N3O3/c1-7-6-3-2-5(9(11)12)4-8(6)10/h2-4,10H,1H3
InChI Key:
YKHPIXCEIWRDJW-UHFFFAOYSA-N
SMILES:
CNc1ccc(c[n+]1[O-])[N+](=O)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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