1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene

C12H6BrClI2 — CID 155477112

IUPAC1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene
SMILESClc1c(Br)ccc(I)c1-c1ccccc1I
InChIInChI=1S/C12H6BrClI2/c13-8-5-6-10(16)11(12(8)14)7-3-1-2-4-9(7)15/h1-6H
InChIKeyUKCIXXWAHUZYIT-UHFFFAOYSA-N
MW519.35 g/mol
LogP5.98
Rot. Bonds1

About 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene

1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene (PubChem CID 155477112) has the molecular formula C12H6BrClI2 and a molecular weight of 519.35 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene
PubChem CID155477112
Molecular FormulaC12H6BrClI2
Molecular Weight519.35 g/mol
Exact Mass517.74
IUPAC Name1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene
SMILESClc1c(Br)ccc(I)c1-c1ccccc1I
InChIInChI=1S/C12H6BrClI2/c13-8-5-6-10(16)11(12(8)14)7-3-1-2-4-9(7)15/h1-6H
InChIKeyUKCIXXWAHUZYIT-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.35
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene?
The IUPAC name of 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene (CID 155477112) is 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene?
The canonical SMILES for 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene is Clc1c(Br)ccc(I)c1-c1ccccc1I.
What is the InChIKey of 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene?
The InChIKey is UKCIXXWAHUZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClI2/c13-8-5-6-10(16)11(12(8)14)7-3-1-2-4-9(7)15/h1-6H.
What are the key properties of 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene?
1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene has a molecular weight of 519.35 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-iodo-3-(2-iodophenyl)benzene is sourced from PubChem (CID 155477112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).