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2,6-Dichloropyridine-1-oxide

CAT: 0572-TRC-D435840-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D435840-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2587-00-0
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[O-][n+]1c(Cl)cccc1Cl
Molecular Formula
C5 H3 Cl2 N O
Molecular Weight
163.99
InChI
InChI=1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
Additionnal Information
IUPAC name: 2,6-dichloro-1-oxidopyridin-1-ium
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,6-Dichloropyridine N-Oxide

structure in first source

CAS Number2587-00-0
PubChem CID817673
IUPAC Name2,6-dichloro-1-oxidopyridin-1-ium
Molecular FormulaC5H3Cl2NO
Molecular Weight163.99
XLogP1.8
Topological Polar Surface Area25.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity91
SMILES
C1=CC(=[N+](C(=C1)Cl)[O-])Cl
InChI
InChI=1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
InChIKey
RFOMGVDPYLWLOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dichloropyridine N-Oxide
CAS: 2587-00-0
CID: 817673
Formula: C5H3Cl2NO
MW: 163.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.99
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass162.9591691
Monoisotopic Mass162.9591691
Topological Polar Surface Area25.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity91
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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