(2-bromophenyl)-dichloro-λ3-iodane

C6H4BrCl2I — CID 135080713

IUPAC(2-bromophenyl)-dichloro-λ3-iodane
SMILESClI(Cl)c1ccccc1Br
InChIInChI=1S/C6H4BrCl2I/c7-5-3-1-2-4-6(5)10(8)9/h1-4H
InChIKeyITJJFFUEHVNRSH-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.43
Rot. Bonds1

About (2-bromophenyl)-dichloro-λ3-iodane

(2-bromophenyl)-dichloro-λ3-iodane (PubChem CID 135080713) has the molecular formula C6H4BrCl2I and a molecular weight of 353.81 g/mol. Its IUPAC name is (2-bromophenyl)-dichloro-λ3-iodane.

Molecular Properties

Compound Name(2-bromophenyl)-dichloro-λ3-iodane
PubChem CID135080713
Molecular FormulaC6H4BrCl2I
Molecular Weight353.81 g/mol
Exact Mass351.79
IUPAC Name(2-bromophenyl)-dichloro-λ3-iodane
SMILESClI(Cl)c1ccccc1Br
InChIInChI=1S/C6H4BrCl2I/c7-5-3-1-2-4-6(5)10(8)9/h1-4H
InChIKeyITJJFFUEHVNRSH-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.43
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 (2-bromophenyl)-dichloro-λ3-iodane?
The IUPAC name of (2-bromophenyl)-dichloro-λ3-iodane (CID 135080713) is (2-bromophenyl)-dichloro-λ3-iodane.
What is the SMILES notation for (2-bromophenyl)-dichloro-λ3-iodane?
The canonical SMILES for (2-bromophenyl)-dichloro-λ3-iodane is ClI(Cl)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-dichloro-λ3-iodane?
The InChIKey is ITJJFFUEHVNRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl2I/c7-5-3-1-2-4-6(5)10(8)9/h1-4H.
What are the key properties of (2-bromophenyl)-dichloro-λ3-iodane?
(2-bromophenyl)-dichloro-λ3-iodane has a molecular weight of 353.81 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-dichloro-λ3-iodane is sourced from PubChem (CID 135080713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).