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2,2,4,4-Tetrachlorodibenzylether

CAT: 1596-AR-M03599-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M03599-01Size:10 Units
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CAS Number
207974-13-8
Synonyms
2,2,4,4-Tetrachlorodibenzylether
Molecular Formula
C14H10Cl4O
Molecular Weight
336.03
API Name
Misc

Chemical Information

2,4-Dichloro-1-(((2,4-dichlorophenyl)methoxy)methyl)benzene
CAS Number207974-13-8
PubChem CID7021468
IUPAC Name2,4-dichloro-1-[(2,4-dichlorophenyl)methoxymethyl]benzene
Molecular FormulaC14H10Cl4O
Molecular Weight336.0
XLogP5.6
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity250
SMILES
C1=CC(=C(C=C1Cl)Cl)COCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl4O/c15-11-3-1-9(13(17)5-11)7-19-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2
InChIKey
NWYHVMDKERUNLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichloro-1-(((2,4-dichlorophenyl)methoxy)methyl)benzene
CAS: 207974-13-8
CID: 7021468
Formula: C14H10Cl4O
MW: 336.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.0
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass335.945626
Monoisotopic Mass333.948576
Topological Polar Surface Area9.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity250
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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