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833455-42-8 | 3-Pyridinamine, N-methyl-4-nitro-N-phenyl-, 1-oxide
CAS No: 833455-42-8 Catalog No: AG004WEO MDL No:
Product Description
Catalog Number:
AG004WEO
Chemical Name:
3-Pyridinamine, N-methyl-4-nitro-N-phenyl-, 1-oxide
CAS Number:
833455-42-8
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
N-methyl-4-nitro-1-oxido-N-phenylpyridin-1-ium-3-amine
InChI:
InChI=1S/C12H11N3O3/c1-13(10-5-3-2-4-6-10)12-9-14(16)8-7-11(12)15(17)18/h2-9H,1H3
InChI Key:
HSMQISKLWUWLID-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c(c1)N(c1ccccc1)C)[N+](=O)[O-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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