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2- (3-Nitrophenoxy) pyridine

CAT: 0127-OR2092-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR2092-01Size:1 g
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CAS Number
28355-48-8
MDL Number
MFCD08690283
Purity
97%
Smiles
[O-][N+](=O)c1cccc(Oc2ccccn2)c1

Chemical Information

2-(3-Nitrophenoxy)pyridine
CAS Number28355-48-8
PubChem CID18525839
IUPAC Name2-(3-nitrophenoxy)pyridine
Molecular FormulaC11H8N2O3
Molecular Weight216.19
XLogP2.2
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity242
SMILES
C1=CC=NC(=C1)OC2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O3/c14-13(15)9-4-3-5-10(8-9)16-11-6-1-2-7-12-11/h1-8H
InChIKey
CYAZJQRAXUNGCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Nitrophenoxy)pyridine
CAS: 28355-48-8
CID: 18525839
Formula: C11H8N2O3
MW: 216.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.19
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass216.05349212
Monoisotopic Mass216.05349212
Topological Polar Surface Area67.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes