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2-Phenylpyridine 1-Oxide

CAT: 0127-OR72426-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR72426-01Size:100 mg
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CAS Number
1131-33-5
Synonyms
2-Phenylpyridine N-Oxide
MDL Number
MFCD00234705
Purity
98%
Smiles
C1=CC=C(C=C1)C2=CC=CC=[N+]2[O-]

Chemical Information

2-Phenylpyridine 1-Oxide
CAS Number1131-33-5
PubChem CID302489
IUPAC Name1-oxido-2-phenylpyridin-1-ium
Molecular FormulaC11H9NO
Molecular Weight171.19
XLogP1.5
Topological Polar Surface Area25.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
C1=CC=C(C=C1)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C11H9NO/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
MZBZERKDGUOLBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylpyridine 1-Oxide
CAS: 1131-33-5
CID: 302489
Formula: C11H9NO
MW: 171.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.19
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass171.068413911
Monoisotopic Mass171.068413911
Topological Polar Surface Area25.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity154
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

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