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3-nitro-5-{[(E)-[1-(pyridin-3-yl)ethylidene]amino]oxy}aniline

3-nitro-5-{[(E)-[1-(pyridin-3-yl)ethylidene]amino]oxy}aniline

CAS: 861409-86-1

Formula: C13H12N4O3

SMILES: CC(=N/OC1=CC(=CC(N)=C1)[N+]([O-])=O)C1=CC=CN=C1

IUPAC: 3-nitro-5-{[(E)-[1-(pyridin-3-yl)ethylidene]amino]oxy}aniline

InChI: InChI=1S/C13H12N4O3/c1-9(10-3-2-4-15-8-10)16-20-13-6-11(14)5-12(7-13)17(18)19/h2-8H,14H2,1H3/b16-9+

Composition: C (57.35%), H (4.44%), N (20.58%), O (17.63%)

Molar Mass: 272.264

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 272.090940262
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey RYAQBEWAPMWOCT-CXUHLZMHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.41
Topological Polar Surface Area 103.64
Polarizability 27.13
Ring Count 2
Rotatable Bond Count 4

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