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3,4'-Dichlorodiphenyl ether

CAT: 0127-OR1010780-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1010780-01Size:5 g
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CAS Number
6842-62-2
MDL Number
MFCD00043876
Purity
98%
Smiles
C1=C(C=CC=C1OC2=CC=C(C=C2)Cl)Cl

Chemical Information

3,4'-Dichlorodiphenyl ether
CAS Number6842-62-2
PubChem CID81283
IUPAC Name1-chloro-3-(4-chlorophenoxy)benzene
Molecular FormulaC12H8Cl2O
Molecular Weight239.09
XLogP5.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity190
SMILES
C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
InChIKey
HPRGYUWRGCTBAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4'-Dichlorodiphenyl ether
CAS: 6842-62-2
CID: 81283
Formula: C12H8Cl2O
MW: 239.09
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.09
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass237.9952203
Monoisotopic Mass237.9952203
Topological Polar Surface Area9.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity190
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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