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4-Chloropyridine N-Oxide

CAT: 0572-TRC-C596215-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C596215-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1121-76-2
Synonyms
4-Chloropyridine Oxide; NSC 5074; TH 285N; 4-Chloropyridine 1-Oxide
Hazard Statement
No Data Available
Smiles
[O-][n+]1ccc(Cl)cc1
Molecular Formula
C5H4NOCl
Molecular Weight
129.54
Shipping Conditions
Room Temperature

Chemical Information

4-chloropyridine N-oxide
CAS Number1121-76-2
PubChem CID70724
IUPAC Name4-chloro-1-oxidopyridin-1-ium
Molecular FormulaC5H4ClNO
Molecular Weight129.54
XLogP0
Topological Polar Surface Area25.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
C1=C[N+](=CC=C1Cl)[O-]
InChI
InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
InChIKey
DPJVRASYWYOFSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-chloropyridine N-oxide
CAS: 1121-76-2
CID: 70724
Formula: C5H4ClNO
MW: 129.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.54
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass128.9981414
Monoisotopic Mass128.9981414
Topological Polar Surface Area25.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.8
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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