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4,5-Dichloro-2-methoxy-pyridine

CAT: 0572-TRC-D435270-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D435270-100MGSize:100 mg
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CAS Number
688047-08-7
Hazard Statement
No Data Available
Smiles
ClC1=CN=C(OC)C=C1Cl
Molecular Formula
C6H5Cl2NO
Molecular Weight
178.02
Additionnal Information
IUPAC name: 4,5-dichloro-2-methoxypyridine
Shipping Conditions
Room Temperature

Chemical Information

4,5-Dichloro-2-methoxypyridine
CAS Number688047-08-7
PubChem CID23082582
IUPAC Name4,5-dichloro-2-methoxypyridine
Molecular FormulaC6H5Cl2NO
Molecular Weight178.01
XLogP2.4
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity112
SMILES
COC1=NC=C(C(=C1)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO/c1-10-6-2-4(7)5(8)3-9-6/h2-3H,1H3
InChIKey
MHKHADZFQUGJOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dichloro-2-methoxypyridine
CAS: 688047-08-7
CID: 23082582
Formula: C6H5Cl2NO
MW: 178.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.01
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.9748192
Monoisotopic Mass176.9748192
Topological Polar Surface Area22.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity112
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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CatalogName
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