1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene

C8HCl7 — CID 6434060

IUPAC1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene
SMILESCl/C=C(\Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8HCl7/c9-1-2(10)3-4(11)6(13)8(15)7(14)5(3)12/h1H/b2-1-
InChIKeyWOYBAAGBIXHIGK-UPHRSURJSA-N
MW345.27 g/mol
LogP6.73
Rot. Bonds1

About 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene

1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene (PubChem CID 6434060) has the molecular formula C8HCl7 and a molecular weight of 345.27 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene
PubChem CID6434060
Molecular FormulaC8HCl7
Molecular Weight345.27 g/mol
Exact Mass341.79
IUPAC Name1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene
SMILESCl/C=C(\Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8HCl7/c9-1-2(10)3-4(11)6(13)8(15)7(14)5(3)12/h1H/b2-1-
InChIKeyWOYBAAGBIXHIGK-UPHRSURJSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene (CID 6434060) is 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene is Cl/C=C(\Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene?
The InChIKey is WOYBAAGBIXHIGK-UPHRSURJSA-N. The full InChI is InChI=1S/C8HCl7/c9-1-2(10)3-4(11)6(13)8(15)7(14)5(3)12/h1H/b2-1-.
What are the key properties of 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene?
1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene has a molecular weight of 345.27 g/mol, XLogP of 6.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentachloro-6-[(Z)-1,2-dichloroethenyl]benzene is sourced from PubChem (CID 6434060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).