1,2,4,5-tetrachloro-3-iodobenzene

C6HCl4I — CID 520590

IUPAC1,2,4,5-tetrachloro-3-iodobenzene
SMILESClc1cc(Cl)c(Cl)c(I)c1Cl
InChIInChI=1S/C6HCl4I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyOUOGYOBZKZJEQN-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.90
Rot. Bonds

About 1,2,4,5-tetrachloro-3-iodobenzene

1,2,4,5-tetrachloro-3-iodobenzene (PubChem CID 520590) has the molecular formula C6HCl4I and a molecular weight of 341.79 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3-iodobenzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3-iodobenzene
PubChem CID520590
Molecular FormulaC6HCl4I
Molecular Weight341.79 g/mol
Exact Mass339.79
IUPAC Name1,2,4,5-tetrachloro-3-iodobenzene
SMILESClc1cc(Cl)c(Cl)c(I)c1Cl
InChIInChI=1S/C6HCl4I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyOUOGYOBZKZJEQN-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.90
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-iodobenzene?
The IUPAC name of 1,2,4,5-tetrachloro-3-iodobenzene (CID 520590) is 1,2,4,5-tetrachloro-3-iodobenzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3-iodobenzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3-iodobenzene is Clc1cc(Cl)c(Cl)c(I)c1Cl.
What is the InChIKey of 1,2,4,5-tetrachloro-3-iodobenzene?
The InChIKey is OUOGYOBZKZJEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl4I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H.
What are the key properties of 1,2,4,5-tetrachloro-3-iodobenzene?
1,2,4,5-tetrachloro-3-iodobenzene has a molecular weight of 341.79 g/mol, XLogP of 4.90, 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-iodobenzene is sourced from PubChem (CID 520590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).