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3,3'-Oxybis (chlorobenzene)

CAT: 0127-OR1052573-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052573-01Size:250 mg
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CAS Number
6903-62-4
Purity
95%
Smiles
ClC1=CC(OC2=CC=CC(Cl)=C2)=CC=C1

Chemical Information

3,3'-Dichlorodiphenyl ether
CAS Number6903-62-4
PubChem CID165557
IUPAC Name1-chloro-3-(3-chlorophenoxy)benzene
Molecular FormulaC12H8Cl2O
Molecular Weight239.09
XLogP4.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity178
SMILES
C1=CC(=CC(=C1)Cl)OC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H8Cl2O/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h1-8H
InChIKey
RQMZSXZFMWCEET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dichlorodiphenyl ether
CAS: 6903-62-4
CID: 165557
Formula: C12H8Cl2O
MW: 239.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight239.09
XLogP34.7
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
Complexity178
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