furan-3,4-dicarbonyl chloride

C6H2Cl2O3 — CID 12579970

IUPACfuran-3,4-dicarbonyl chloride
SMILESO=C(Cl)c1cocc1C(=O)Cl
InChIInChI=1S/C6H2Cl2O3/c7-5(9)3-1-11-2-4(3)6(8)10/h1-2H
InChIKeyVUZTVYLBZJRFKP-UHFFFAOYSA-N
MW192.98 g/mol
LogP2.04
Rot. Bonds2

About furan-3,4-dicarbonyl chloride

furan-3,4-dicarbonyl chloride (PubChem CID 12579970) has the molecular formula C6H2Cl2O3 and a molecular weight of 192.98 g/mol. Its IUPAC name is furan-3,4-dicarbonyl chloride.

Molecular Properties

Compound Namefuran-3,4-dicarbonyl chloride
PubChem CID12579970
Molecular FormulaC6H2Cl2O3
Molecular Weight192.98 g/mol
Exact Mass191.94
IUPAC Namefuran-3,4-dicarbonyl chloride
SMILESO=C(Cl)c1cocc1C(=O)Cl
InChIInChI=1S/C6H2Cl2O3/c7-5(9)3-1-11-2-4(3)6(8)10/h1-2H
InChIKeyVUZTVYLBZJRFKP-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.98
LogP ≤ 52.04
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 furan-3,4-dicarbonyl chloride?
The IUPAC name of furan-3,4-dicarbonyl chloride (CID 12579970) is furan-3,4-dicarbonyl chloride.
What is the SMILES notation for furan-3,4-dicarbonyl chloride?
The canonical SMILES for furan-3,4-dicarbonyl chloride is O=C(Cl)c1cocc1C(=O)Cl.
What is the InChIKey of furan-3,4-dicarbonyl chloride?
The InChIKey is VUZTVYLBZJRFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2O3/c7-5(9)3-1-11-2-4(3)6(8)10/h1-2H.
What are the key properties of furan-3,4-dicarbonyl chloride?
furan-3,4-dicarbonyl chloride has a molecular weight of 192.98 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3,4-dicarbonyl chloride is sourced from PubChem (CID 12579970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).