4-bromobenzenediazonium

C6H4BrN2+ — CID 2734811

IUPAC4-bromobenzenediazonium
SMILESN#[N+]c1ccc(Br)cc1
InChIInChI=1S/C6H4BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4H/q+1
InChIKeyUPQQTAIBAVTEGV-UHFFFAOYSA-N
MW184.02 g/mol
LogP2.93
Rot. Bonds

About 4-bromobenzenediazonium

4-bromobenzenediazonium (PubChem CID 2734811) has the molecular formula C6H4BrN2+ and a molecular weight of 184.02 g/mol. Its IUPAC name is 4-bromobenzenediazonium.

Molecular Properties

Compound Name4-bromobenzenediazonium
PubChem CID2734811
Molecular FormulaC6H4BrN2+
Molecular Weight184.02 g/mol
Exact Mass182.96
IUPAC Name4-bromobenzenediazonium
SMILESN#[N+]c1ccc(Br)cc1
InChIInChI=1S/C6H4BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4H/q+1
InChIKeyUPQQTAIBAVTEGV-UHFFFAOYSA-N
XLogP2.93
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.02
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzenediazonium?
The IUPAC name of 4-bromobenzenediazonium (CID 2734811) is 4-bromobenzenediazonium.
What is the SMILES notation for 4-bromobenzenediazonium?
The canonical SMILES for 4-bromobenzenediazonium is N#[N+]c1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzenediazonium?
The InChIKey is UPQQTAIBAVTEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4H/q+1.
What are the key properties of 4-bromobenzenediazonium?
4-bromobenzenediazonium has a molecular weight of 184.02 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzenediazonium is sourced from PubChem (CID 2734811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).