1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene

C12H6Cl2I2 — CID 86037310

IUPAC1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
SMILESClc1cccc(I)c1-c1c(Cl)cccc1I
InChIInChI=1S/C12H6Cl2I2/c13-7-3-1-5-9(15)11(7)12-8(14)4-2-6-10(12)16/h1-6H
InChIKeyOZHNZGZFSPSNMO-UHFFFAOYSA-N
MW474.89 g/mol
LogP5.87
Rot. Bonds1

About 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene

1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene (PubChem CID 86037310) has the molecular formula C12H6Cl2I2 and a molecular weight of 474.89 g/mol. Its IUPAC name is 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene.

Molecular Properties

Compound Name1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
PubChem CID86037310
Molecular FormulaC12H6Cl2I2
Molecular Weight474.89 g/mol
Exact Mass473.79
IUPAC Name1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
SMILESClc1cccc(I)c1-c1c(Cl)cccc1I
InChIInChI=1S/C12H6Cl2I2/c13-7-3-1-5-9(15)11(7)12-8(14)4-2-6-10(12)16/h1-6H
InChIKeyOZHNZGZFSPSNMO-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.89
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene?
The IUPAC name of 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene (CID 86037310) is 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene.
What is the SMILES notation for 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene?
The canonical SMILES for 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene is Clc1cccc(I)c1-c1c(Cl)cccc1I.
What is the InChIKey of 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene?
The InChIKey is OZHNZGZFSPSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2I2/c13-7-3-1-5-9(15)11(7)12-8(14)4-2-6-10(12)16/h1-6H.
What are the key properties of 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene?
1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene has a molecular weight of 474.89 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene is sourced from PubChem (CID 86037310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).