2-bromo-3-chlorobenzenediazonium

C6H3BrClN2+ — CID 103482045

IUPAC2-bromo-3-chlorobenzenediazonium
SMILESN#[N+]c1cccc(Cl)c1Br
InChIInChI=1S/C6H3BrClN2/c7-6-4(8)2-1-3-5(6)10-9/h1-3H/q+1
InChIKeyPECAZNZVHAPIMQ-UHFFFAOYSA-N
MW218.46 g/mol
LogP3.59
Rot. Bonds

About 2-bromo-3-chlorobenzenediazonium

2-bromo-3-chlorobenzenediazonium (PubChem CID 103482045) has the molecular formula C6H3BrClN2+ and a molecular weight of 218.46 g/mol. Its IUPAC name is 2-bromo-3-chlorobenzenediazonium.

Molecular Properties

Compound Name2-bromo-3-chlorobenzenediazonium
PubChem CID103482045
Molecular FormulaC6H3BrClN2+
Molecular Weight218.46 g/mol
Exact Mass216.92
IUPAC Name2-bromo-3-chlorobenzenediazonium
SMILESN#[N+]c1cccc(Cl)c1Br
InChIInChI=1S/C6H3BrClN2/c7-6-4(8)2-1-3-5(6)10-9/h1-3H/q+1
InChIKeyPECAZNZVHAPIMQ-UHFFFAOYSA-N
XLogP3.59
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.46
LogP ≤ 53.59
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 2-bromo-3-chlorobenzenediazonium?
The IUPAC name of 2-bromo-3-chlorobenzenediazonium (CID 103482045) is 2-bromo-3-chlorobenzenediazonium.
What is the SMILES notation for 2-bromo-3-chlorobenzenediazonium?
The canonical SMILES for 2-bromo-3-chlorobenzenediazonium is N#[N+]c1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chlorobenzenediazonium?
The InChIKey is PECAZNZVHAPIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN2/c7-6-4(8)2-1-3-5(6)10-9/h1-3H/q+1.
What are the key properties of 2-bromo-3-chlorobenzenediazonium?
2-bromo-3-chlorobenzenediazonium has a molecular weight of 218.46 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chlorobenzenediazonium is sourced from PubChem (CID 103482045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).