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2,6-Dichlorophenol

CAT: 0127-OR0357-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0127-OR0357-02Size:1 Kg
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CAS Number
87-65-0
MDL Number
MFCD00002176
Purity
99%
Smiles
Oc1c(Cl)cccc1Cl

Chemical Information

2,6-Dichlorophenol

2,6-dichlorophenol is a dichlorophenol with the chloro substituents at positions 2 and 6.

CAS Number87-65-0
PubChem CID6899
IUPAC Name2,6-dichlorophenol
Molecular FormulaC6H4Cl2O
Molecular Weight163.00
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=CC(=C(C(=C1)Cl)O)Cl
InChI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
HOLHYSJJBXSLMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dichlorophenol
CAS: 87-65-0
CID: 6899
Formula: C6H4Cl2O
MW: 163.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.00
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass161.9639201
Monoisotopic Mass161.9639201
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
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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