5,7-dichloro-1-benzofuran-2-carbaldehyde

C9H4Cl2O2 — CID 10656298

IUPAC5,7-dichloro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C9H4Cl2O2/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-4H
InChIKeyMIIRMTCUUGENPA-UHFFFAOYSA-N
MW215.03 g/mol
LogP3.55
Rot. Bonds1

About 5,7-dichloro-1-benzofuran-2-carbaldehyde

5,7-dichloro-1-benzofuran-2-carbaldehyde (PubChem CID 10656298) has the molecular formula C9H4Cl2O2 and a molecular weight of 215.03 g/mol. Its IUPAC name is 5,7-dichloro-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name5,7-dichloro-1-benzofuran-2-carbaldehyde
PubChem CID10656298
Molecular FormulaC9H4Cl2O2
Molecular Weight215.03 g/mol
Exact Mass213.96
IUPAC Name5,7-dichloro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C9H4Cl2O2/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-4H
InChIKeyMIIRMTCUUGENPA-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 5,7-dichloro-1-benzofuran-2-carbaldehyde?
The IUPAC name of 5,7-dichloro-1-benzofuran-2-carbaldehyde (CID 10656298) is 5,7-dichloro-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 5,7-dichloro-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 5,7-dichloro-1-benzofuran-2-carbaldehyde is O=Cc1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 5,7-dichloro-1-benzofuran-2-carbaldehyde?
The InChIKey is MIIRMTCUUGENPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2O2/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-4H.
What are the key properties of 5,7-dichloro-1-benzofuran-2-carbaldehyde?
5,7-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 5,7-dichloro-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 10656298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).