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CAT: 0607-C5219-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C5219-50Size:50 mg
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Description
potent and selective aryl hydrocarbon receptor (AhR) antagonist
CAS Number
688348-25-6
Product Name Alternative
1,3-dichloro-5-[(1E)-2-(4-chlorophenyl)ethenyl]-benzene
Field of Research
Others AhR
Purity
0.98
Form
A crystalline solid
Solubility
≤2mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
Smiles
Clc1ccc(cc1)\C=C/c1cc(Cl)cc(Cl)c1
Molecular Formula
C14H9Cl3
Molecular Weight
283.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

1,3-Dichloro-5-[(1E)-2-(4-chlorophenyl)ethenyl]-benzene
CAS Number688348-25-6
PubChem CID9838722
IUPAC Name1,3-dichloro-5-[(E)-2-(4-chlorophenyl)ethenyl]benzene
Molecular FormulaC14H9Cl3
Molecular Weight283.6
XLogP6.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity246
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C14H9Cl3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+
InChIKey
JMYNPQVCVQVODQ-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dichloro-5-[(1E)-2-(4-chlorophenyl)ethenyl]-benzene
CAS: 688348-25-6
CID: 9838722
Formula: C14H9Cl3
MW: 283.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight283.6
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass281.976983
Monoisotopic Mass281.976983
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes