2-methoxydibenzofuran-3-diazonium chloride

C13H9ClN2O2 — CID 87576667

IUPAC2-methoxydibenzofuran-3-diazonium chloride
SMILESCOc1cc2c(cc1[N+]#N)oc1ccccc12.[Cl-]
InChIInChI=1S/C13H9N2O2.ClH/c1-16-13-6-9-8-4-2-3-5-11(8)17-12(9)7-10(13)15-14;/h2-7H,1H3;1H/q+1;/p-1
InChIKeyDHIQYUVIAUFYQI-UHFFFAOYSA-M
MW260.68 g/mol
LogP1.08
Rot. Bonds1

About 2-methoxydibenzofuran-3-diazonium chloride

2-methoxydibenzofuran-3-diazonium chloride (PubChem CID 87576667) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-methoxydibenzofuran-3-diazonium chloride.

Molecular Properties

Compound Name2-methoxydibenzofuran-3-diazonium chloride
PubChem CID87576667
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name2-methoxydibenzofuran-3-diazonium chloride
SMILESCOc1cc2c(cc1[N+]#N)oc1ccccc12.[Cl-]
InChIInChI=1S/C13H9N2O2.ClH/c1-16-13-6-9-8-4-2-3-5-11(8)17-12(9)7-10(13)15-14;/h2-7H,1H3;1H/q+1;/p-1
InChIKeyDHIQYUVIAUFYQI-UHFFFAOYSA-M
XLogP1.08
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxydibenzofuran-3-diazonium chloride?
The IUPAC name of 2-methoxydibenzofuran-3-diazonium chloride (CID 87576667) is 2-methoxydibenzofuran-3-diazonium chloride.
What is the SMILES notation for 2-methoxydibenzofuran-3-diazonium chloride?
The canonical SMILES for 2-methoxydibenzofuran-3-diazonium chloride is COc1cc2c(cc1[N+]#N)oc1ccccc12.[Cl-].
What is the InChIKey of 2-methoxydibenzofuran-3-diazonium chloride?
The InChIKey is DHIQYUVIAUFYQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9N2O2.ClH/c1-16-13-6-9-8-4-2-3-5-11(8)17-12(9)7-10(13)15-14;/h2-7H,1H3;1H/q+1;/p-1.
What are the key properties of 2-methoxydibenzofuran-3-diazonium chloride?
2-methoxydibenzofuran-3-diazonium chloride has a molecular weight of 260.68 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxydibenzofuran-3-diazonium chloride is sourced from PubChem (CID 87576667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).