[(E)-1,2-dichloroethenyl]benzene

C8H6Cl2 — CID 5356088

IUPAC[(E)-1,2-dichloroethenyl]benzene
SMILESCl/C=C(/Cl)c1ccccc1
InChIInChI=1S/C8H6Cl2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyOQGSCHGFHOSXFY-SOFGYWHQSA-N
MW173.04 g/mol
LogP3.46
Rot. Bonds1

About [(E)-1,2-dichloroethenyl]benzene

[(E)-1,2-dichloroethenyl]benzene (PubChem CID 5356088) has the molecular formula C8H6Cl2 and a molecular weight of 173.04 g/mol. Its IUPAC name is [(E)-1,2-dichloroethenyl]benzene.

Molecular Properties

Compound Name[(E)-1,2-dichloroethenyl]benzene
PubChem CID5356088
Molecular FormulaC8H6Cl2
Molecular Weight173.04 g/mol
Exact Mass171.98
IUPAC Name[(E)-1,2-dichloroethenyl]benzene
SMILESCl/C=C(/Cl)c1ccccc1
InChIInChI=1S/C8H6Cl2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyOQGSCHGFHOSXFY-SOFGYWHQSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-1,2-dichloroethenyl]benzene?
The IUPAC name of [(E)-1,2-dichloroethenyl]benzene (CID 5356088) is [(E)-1,2-dichloroethenyl]benzene.
What is the SMILES notation for [(E)-1,2-dichloroethenyl]benzene?
The canonical SMILES for [(E)-1,2-dichloroethenyl]benzene is Cl/C=C(/Cl)c1ccccc1.
What is the InChIKey of [(E)-1,2-dichloroethenyl]benzene?
The InChIKey is OQGSCHGFHOSXFY-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H6Cl2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H/b8-6+.
What are the key properties of [(E)-1,2-dichloroethenyl]benzene?
[(E)-1,2-dichloroethenyl]benzene has a molecular weight of 173.04 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2-dichloroethenyl]benzene is sourced from PubChem (CID 5356088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).