4-arsonobenzenediazonium bromide

C6H6AsBrN2O3 — CID 71410005

IUPAC4-arsonobenzenediazonium bromide
SMILESN#[N+]c1ccc([As](=O)(O)O)cc1.[Br-]
InChIInChI=1S/C6H5AsN2O3.BrH/c8-9-6-3-1-5(2-4-6)7(10,11)12;/h1-4H,(H-,10,11,12);1H
InChIKeyHSVXNYWWQAYTSE-UHFFFAOYSA-N
MW308.95 g/mol
LogP-3.26
Rot. Bonds1

About 4-arsonobenzenediazonium bromide

4-arsonobenzenediazonium bromide (PubChem CID 71410005) has the molecular formula C6H6AsBrN2O3 and a molecular weight of 308.95 g/mol. Its IUPAC name is 4-arsonobenzenediazonium bromide.

Molecular Properties

Compound Name4-arsonobenzenediazonium bromide
PubChem CID71410005
Molecular FormulaC6H6AsBrN2O3
Molecular Weight308.95 g/mol
Exact Mass307.88
IUPAC Name4-arsonobenzenediazonium bromide
SMILESN#[N+]c1ccc([As](=O)(O)O)cc1.[Br-]
InChIInChI=1S/C6H5AsN2O3.BrH/c8-9-6-3-1-5(2-4-6)7(10,11)12;/h1-4H,(H-,10,11,12);1H
InChIKeyHSVXNYWWQAYTSE-UHFFFAOYSA-N
XLogP-3.26
TPSA85.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.95
LogP ≤ 5-3.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-arsonobenzenediazonium bromide?
The IUPAC name of 4-arsonobenzenediazonium bromide (CID 71410005) is 4-arsonobenzenediazonium bromide.
What is the SMILES notation for 4-arsonobenzenediazonium bromide?
The canonical SMILES for 4-arsonobenzenediazonium bromide is N#[N+]c1ccc([As](=O)(O)O)cc1.[Br-].
What is the InChIKey of 4-arsonobenzenediazonium bromide?
The InChIKey is HSVXNYWWQAYTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5AsN2O3.BrH/c8-9-6-3-1-5(2-4-6)7(10,11)12;/h1-4H,(H-,10,11,12);1H.
What are the key properties of 4-arsonobenzenediazonium bromide?
4-arsonobenzenediazonium bromide has a molecular weight of 308.95 g/mol, XLogP of -3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-arsonobenzenediazonium bromide is sourced from PubChem (CID 71410005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).