3-chlorodibenzo-p-dioxin-1-diazonium

C12H6ClN2O2+ — CID 86013581

IUPAC3-chlorodibenzo-p-dioxin-1-diazonium
SMILESN#[N+]c1cc(Cl)cc2c1Oc1ccccc1O2
InChIInChI=1S/C12H6ClN2O2/c13-7-5-8(15-14)12-11(6-7)16-9-3-1-2-4-10(9)17-12/h1-6H/q+1
InChIKeyRPDYZZBVBUKRGY-UHFFFAOYSA-N
MW245.65 g/mol
LogP4.72
Rot. Bonds

About 3-chlorodibenzo-p-dioxin-1-diazonium

3-chlorodibenzo-p-dioxin-1-diazonium (PubChem CID 86013581) has the molecular formula C12H6ClN2O2+ and a molecular weight of 245.65 g/mol. Its IUPAC name is 3-chlorodibenzo-p-dioxin-1-diazonium.

Molecular Properties

Compound Name3-chlorodibenzo-p-dioxin-1-diazonium
PubChem CID86013581
Molecular FormulaC12H6ClN2O2+
Molecular Weight245.65 g/mol
Exact Mass245.01
IUPAC Name3-chlorodibenzo-p-dioxin-1-diazonium
SMILESN#[N+]c1cc(Cl)cc2c1Oc1ccccc1O2
InChIInChI=1S/C12H6ClN2O2/c13-7-5-8(15-14)12-11(6-7)16-9-3-1-2-4-10(9)17-12/h1-6H/q+1
InChIKeyRPDYZZBVBUKRGY-UHFFFAOYSA-N
XLogP4.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.65
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chlorodibenzo-p-dioxin-1-diazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chlorodibenzo-p-dioxin-1-diazonium?
The IUPAC name of 3-chlorodibenzo-p-dioxin-1-diazonium (CID 86013581) is 3-chlorodibenzo-p-dioxin-1-diazonium.
What is the SMILES notation for 3-chlorodibenzo-p-dioxin-1-diazonium?
The canonical SMILES for 3-chlorodibenzo-p-dioxin-1-diazonium is N#[N+]c1cc(Cl)cc2c1Oc1ccccc1O2.
What is the InChIKey of 3-chlorodibenzo-p-dioxin-1-diazonium?
The InChIKey is RPDYZZBVBUKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN2O2/c13-7-5-8(15-14)12-11(6-7)16-9-3-1-2-4-10(9)17-12/h1-6H/q+1.
What are the key properties of 3-chlorodibenzo-p-dioxin-1-diazonium?
3-chlorodibenzo-p-dioxin-1-diazonium has a molecular weight of 245.65 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorodibenzo-p-dioxin-1-diazonium is sourced from PubChem (CID 86013581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).