6,7-dichloro-1-benzofuran-2-carbaldehyde

C9H4Cl2O2 — CID 65426681

IUPAC6,7-dichloro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C9H4Cl2O2/c10-7-2-1-5-3-6(4-12)13-9(5)8(7)11/h1-4H
InChIKeyADEWWGUBRSONHE-UHFFFAOYSA-N
MW215.03 g/mol
LogP3.55
Rot. Bonds1

About 6,7-dichloro-1-benzofuran-2-carbaldehyde

6,7-dichloro-1-benzofuran-2-carbaldehyde (PubChem CID 65426681) has the molecular formula C9H4Cl2O2 and a molecular weight of 215.03 g/mol. Its IUPAC name is 6,7-dichloro-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name6,7-dichloro-1-benzofuran-2-carbaldehyde
PubChem CID65426681
Molecular FormulaC9H4Cl2O2
Molecular Weight215.03 g/mol
Exact Mass213.96
IUPAC Name6,7-dichloro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C9H4Cl2O2/c10-7-2-1-5-3-6(4-12)13-9(5)8(7)11/h1-4H
InChIKeyADEWWGUBRSONHE-UHFFFAOYSA-N
XLogP3.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-benzofuran-2-carbaldehyde?
The IUPAC name of 6,7-dichloro-1-benzofuran-2-carbaldehyde (CID 65426681) is 6,7-dichloro-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 6,7-dichloro-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 6,7-dichloro-1-benzofuran-2-carbaldehyde is O=Cc1cc2ccc(Cl)c(Cl)c2o1.
What is the InChIKey of 6,7-dichloro-1-benzofuran-2-carbaldehyde?
The InChIKey is ADEWWGUBRSONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2O2/c10-7-2-1-5-3-6(4-12)13-9(5)8(7)11/h1-4H.
What are the key properties of 6,7-dichloro-1-benzofuran-2-carbaldehyde?
6,7-dichloro-1-benzofuran-2-carbaldehyde has a molecular weight of 215.03 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 65426681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).