(4-bromophenyl)-phenyliodanium

C12H9BrI+ — CID 6332504

IUPAC(4-bromophenyl)-phenyliodanium
SMILESBrc1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H9BrI/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H/q+1
InChIKeyZZFVSGJYHULIOE-UHFFFAOYSA-N
MW360.01 g/mol
LogP0.58
Rot. Bonds2

About (4-bromophenyl)-phenyliodanium

(4-bromophenyl)-phenyliodanium (PubChem CID 6332504) has the molecular formula C12H9BrI+ and a molecular weight of 360.01 g/mol. Its IUPAC name is (4-bromophenyl)-phenyliodanium.

Molecular Properties

Compound Name(4-bromophenyl)-phenyliodanium
PubChem CID6332504
Molecular FormulaC12H9BrI+
Molecular Weight360.01 g/mol
Exact Mass358.89
IUPAC Name(4-bromophenyl)-phenyliodanium
SMILESBrc1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H9BrI/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H/q+1
InChIKeyZZFVSGJYHULIOE-UHFFFAOYSA-N
XLogP0.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.01
LogP ≤ 50.58
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 (4-bromophenyl)-phenyliodanium?
The IUPAC name of (4-bromophenyl)-phenyliodanium (CID 6332504) is (4-bromophenyl)-phenyliodanium.
What is the SMILES notation for (4-bromophenyl)-phenyliodanium?
The canonical SMILES for (4-bromophenyl)-phenyliodanium is Brc1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of (4-bromophenyl)-phenyliodanium?
The InChIKey is ZZFVSGJYHULIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrI/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H/q+1.
What are the key properties of (4-bromophenyl)-phenyliodanium?
(4-bromophenyl)-phenyliodanium has a molecular weight of 360.01 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-phenyliodanium is sourced from PubChem (CID 6332504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).