1,2,4,5-tetrachloro-3,6-diiodobenzene

C6Cl4I2 — CID 4578136

IUPAC1,2,4,5-tetrachloro-3,6-diiodobenzene
SMILESClc1c(Cl)c(I)c(Cl)c(Cl)c1I
InChIInChI=1S/C6Cl4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKeyXJVBNWIBATXUFC-UHFFFAOYSA-N
MW467.69 g/mol
LogP5.51
Rot. Bonds

About 1,2,4,5-tetrachloro-3,6-diiodobenzene

1,2,4,5-tetrachloro-3,6-diiodobenzene (PubChem CID 4578136) has the molecular formula C6Cl4I2 and a molecular weight of 467.69 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3,6-diiodobenzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3,6-diiodobenzene
PubChem CID4578136
Molecular FormulaC6Cl4I2
Molecular Weight467.69 g/mol
Exact Mass465.68
IUPAC Name1,2,4,5-tetrachloro-3,6-diiodobenzene
SMILESClc1c(Cl)c(I)c(Cl)c(Cl)c1I
InChIInChI=1S/C6Cl4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKeyXJVBNWIBATXUFC-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.69
LogP ≤ 55.51
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachloro-3,6-diiodobenzene?
The IUPAC name of 1,2,4,5-tetrachloro-3,6-diiodobenzene (CID 4578136) is 1,2,4,5-tetrachloro-3,6-diiodobenzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3,6-diiodobenzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3,6-diiodobenzene is Clc1c(Cl)c(I)c(Cl)c(Cl)c1I.
What is the InChIKey of 1,2,4,5-tetrachloro-3,6-diiodobenzene?
The InChIKey is XJVBNWIBATXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11.
What are the key properties of 1,2,4,5-tetrachloro-3,6-diiodobenzene?
1,2,4,5-tetrachloro-3,6-diiodobenzene has a molecular weight of 467.69 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrachloro-3,6-diiodobenzene is sourced from PubChem (CID 4578136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).