5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride

C11H6Cl2O4 — CID 12733577

IUPAC5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(Cc2ccc(C(=O)Cl)o2)o1
InChIInChI=1S/C11H6Cl2O4/c12-10(14)8-3-1-6(16-8)5-7-2-4-9(17-7)11(13)15/h1-4H,5H2
InChIKeyAGRRHSOVBMNEHX-UHFFFAOYSA-N
MW273.07 g/mol
LogP3.22
Rot. Bonds4

About 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride

5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride (PubChem CID 12733577) has the molecular formula C11H6Cl2O4 and a molecular weight of 273.07 g/mol. Its IUPAC name is 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride
PubChem CID12733577
Molecular FormulaC11H6Cl2O4
Molecular Weight273.07 g/mol
Exact Mass271.96
IUPAC Name5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(Cc2ccc(C(=O)Cl)o2)o1
InChIInChI=1S/C11H6Cl2O4/c12-10(14)8-3-1-6(16-8)5-7-2-4-9(17-7)11(13)15/h1-4H,5H2
InChIKeyAGRRHSOVBMNEHX-UHFFFAOYSA-N
XLogP3.22
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride?
The IUPAC name of 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride (CID 12733577) is 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride.
What is the SMILES notation for 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride?
The canonical SMILES for 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride is O=C(Cl)c1ccc(Cc2ccc(C(=O)Cl)o2)o1.
What is the InChIKey of 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride?
The InChIKey is AGRRHSOVBMNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O4/c12-10(14)8-3-1-6(16-8)5-7-2-4-9(17-7)11(13)15/h1-4H,5H2.
What are the key properties of 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride?
5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride has a molecular weight of 273.07 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride is sourced from PubChem (CID 12733577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).