2-bromobenzenediazonium hydroxide

C6H5BrN2O — CID 87874741

IUPAC2-bromobenzenediazonium hydroxide
SMILESN#[N+]c1ccccc1Br.[OH-]
InChIInChI=1S/C6H4BrN2.H2O/c7-5-3-1-2-4-6(5)9-8;/h1-4H;1H2/q+1;/p-1
InChIKeyUGYHGUBASSNWHZ-UHFFFAOYSA-M
MW201.02 g/mol
LogP2.76
Rot. Bonds

About 2-bromobenzenediazonium hydroxide

2-bromobenzenediazonium hydroxide (PubChem CID 87874741) has the molecular formula C6H5BrN2O and a molecular weight of 201.02 g/mol. Its IUPAC name is 2-bromobenzenediazonium hydroxide.

Molecular Properties

Compound Name2-bromobenzenediazonium hydroxide
PubChem CID87874741
Molecular FormulaC6H5BrN2O
Molecular Weight201.02 g/mol
Exact Mass199.96
IUPAC Name2-bromobenzenediazonium hydroxide
SMILESN#[N+]c1ccccc1Br.[OH-]
InChIInChI=1S/C6H4BrN2.H2O/c7-5-3-1-2-4-6(5)9-8;/h1-4H;1H2/q+1;/p-1
InChIKeyUGYHGUBASSNWHZ-UHFFFAOYSA-M
XLogP2.76
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-bromobenzenediazonium hydroxide?
The IUPAC name of 2-bromobenzenediazonium hydroxide (CID 87874741) is 2-bromobenzenediazonium hydroxide.
What is the SMILES notation for 2-bromobenzenediazonium hydroxide?
The canonical SMILES for 2-bromobenzenediazonium hydroxide is N#[N+]c1ccccc1Br.[OH-].
What is the InChIKey of 2-bromobenzenediazonium hydroxide?
The InChIKey is UGYHGUBASSNWHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4BrN2.H2O/c7-5-3-1-2-4-6(5)9-8;/h1-4H;1H2/q+1;/p-1.
What are the key properties of 2-bromobenzenediazonium hydroxide?
2-bromobenzenediazonium hydroxide has a molecular weight of 201.02 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzenediazonium hydroxide is sourced from PubChem (CID 87874741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).