5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride

C7H2Cl2O4 — CID 150753161

IUPAC5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride
SMILESO=C(Cl)C(=O)c1ccc(C(=O)Cl)o1
InChIInChI=1S/C7H2Cl2O4/c8-6(11)4-2-1-3(13-4)5(10)7(9)12/h1-2H
InChIKeyJWHOIFVMZQANJY-UHFFFAOYSA-N
MW220.99 g/mol
LogP1.61
Rot. Bonds3

About 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride

5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride (PubChem CID 150753161) has the molecular formula C7H2Cl2O4 and a molecular weight of 220.99 g/mol. Its IUPAC name is 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride
PubChem CID150753161
Molecular FormulaC7H2Cl2O4
Molecular Weight220.99 g/mol
Exact Mass219.93
IUPAC Name5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride
SMILESO=C(Cl)C(=O)c1ccc(C(=O)Cl)o1
InChIInChI=1S/C7H2Cl2O4/c8-6(11)4-2-1-3(13-4)5(10)7(9)12/h1-2H
InChIKeyJWHOIFVMZQANJY-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.99
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride?
The IUPAC name of 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride (CID 150753161) is 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride.
What is the SMILES notation for 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride?
The canonical SMILES for 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride is O=C(Cl)C(=O)c1ccc(C(=O)Cl)o1.
What is the InChIKey of 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride?
The InChIKey is JWHOIFVMZQANJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2O4/c8-6(11)4-2-1-3(13-4)5(10)7(9)12/h1-2H.
What are the key properties of 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride?
5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride has a molecular weight of 220.99 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-2-oxoacetyl)furan-2-carbonyl chloride is sourced from PubChem (CID 150753161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).