2,3-dihydro-1-benzofuran-2-carbonyl chloride

C9H7ClO2 — CID 2795427

IUPAC2,3-dihydro-1-benzofuran-2-carbonyl chloride
SMILESO=C(Cl)C1Cc2ccccc2O1
InChIInChI=1S/C9H7ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-4,8H,5H2
InChIKeyQZVPHVMVWZKULP-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.76
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-2-carbonyl chloride

2,3-dihydro-1-benzofuran-2-carbonyl chloride (PubChem CID 2795427) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-carbonyl chloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-carbonyl chloride
PubChem CID2795427
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name2,3-dihydro-1-benzofuran-2-carbonyl chloride
SMILESO=C(Cl)C1Cc2ccccc2O1
InChIInChI=1S/C9H7ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-4,8H,5H2
InChIKeyQZVPHVMVWZKULP-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3-dihydro-1-benzofuran-2-carbonyl chloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-carbonyl chloride (CID 2795427) is 2,3-dihydro-1-benzofuran-2-carbonyl chloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-carbonyl chloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-carbonyl chloride is O=C(Cl)C1Cc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-carbonyl chloride?
The InChIKey is QZVPHVMVWZKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-4,8H,5H2.
What are the key properties of 2,3-dihydro-1-benzofuran-2-carbonyl chloride?
2,3-dihydro-1-benzofuran-2-carbonyl chloride has a molecular weight of 182.61 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-carbonyl chloride is sourced from PubChem (CID 2795427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).