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2,3-Dichloro-6-(2,4-dichlorophenoxy)phenol

CAT: 0572-TRC-D433950-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D433950-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63709-57-9
Hazard Statement
No Data Available
Smiles
Oc1c(Cl)c(Cl)ccc1Oc2ccc(Cl)cc2Cl
Molecular Formula
C12 H6 Cl4 O2
Molecular Weight
323.987
InChI
InChI=1S/C12H6Cl4O2/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5,17H
Additionnal Information
IUPAC name: 2,3-dichloro-6-(2,4-dichlorophenoxy)phenol
Shipping Conditions
Room Temperature

Chemical Information

Phenol, 2,3-dichloro-6-(2,4-dichlorophenoxy)-
CAS Number63709-57-9
PubChem CID173961
IUPAC Name2,3-dichloro-6-(2,4-dichlorophenoxy)phenol
Molecular FormulaC12H6Cl4O2
Molecular Weight324.0
XLogP5.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity279
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=C(C(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C12H6Cl4O2/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5,17H
InChIKey
BKWHBKVTXLCASI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenol, 2,3-dichloro-6-(2,4-dichlorophenoxy)-
CAS: 63709-57-9
CID: 173961
Formula: C12H6Cl4O2
MW: 324.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.0
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass323.909240
Monoisotopic Mass321.912190
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity279
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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