dibenzofuran-2,6-dicarbonyl chloride

C14H6Cl2O3 — CID 54577654

IUPACdibenzofuran-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2oc3c(C(=O)Cl)cccc3c2c1
InChIInChI=1S/C14H6Cl2O3/c15-13(17)7-4-5-11-10(6-7)8-2-1-3-9(14(16)18)12(8)19-11/h1-6H
InChIKeyQGLQDTHYGRVHDK-UHFFFAOYSA-N
MW293.11 g/mol
LogP4.34
Rot. Bonds2

About dibenzofuran-2,6-dicarbonyl chloride

dibenzofuran-2,6-dicarbonyl chloride (PubChem CID 54577654) has the molecular formula C14H6Cl2O3 and a molecular weight of 293.11 g/mol. Its IUPAC name is dibenzofuran-2,6-dicarbonyl chloride.

Molecular Properties

Compound Namedibenzofuran-2,6-dicarbonyl chloride
PubChem CID54577654
Molecular FormulaC14H6Cl2O3
Molecular Weight293.11 g/mol
Exact Mass291.97
IUPAC Namedibenzofuran-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2oc3c(C(=O)Cl)cccc3c2c1
InChIInChI=1S/C14H6Cl2O3/c15-13(17)7-4-5-11-10(6-7)8-2-1-3-9(14(16)18)12(8)19-11/h1-6H
InChIKeyQGLQDTHYGRVHDK-UHFFFAOYSA-N
XLogP4.34
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2,6-dicarbonyl chloride?
The IUPAC name of dibenzofuran-2,6-dicarbonyl chloride (CID 54577654) is dibenzofuran-2,6-dicarbonyl chloride.
What is the SMILES notation for dibenzofuran-2,6-dicarbonyl chloride?
The canonical SMILES for dibenzofuran-2,6-dicarbonyl chloride is O=C(Cl)c1ccc2oc3c(C(=O)Cl)cccc3c2c1.
What is the InChIKey of dibenzofuran-2,6-dicarbonyl chloride?
The InChIKey is QGLQDTHYGRVHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2O3/c15-13(17)7-4-5-11-10(6-7)8-2-1-3-9(14(16)18)12(8)19-11/h1-6H.
What are the key properties of dibenzofuran-2,6-dicarbonyl chloride?
dibenzofuran-2,6-dicarbonyl chloride has a molecular weight of 293.11 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2,6-dicarbonyl chloride is sourced from PubChem (CID 54577654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).