3,4-dichlorobenzaldehyde

C7H4Cl2O — CID 22710

IUPAC3,4-dichlorobenzaldehyde
SMILESO=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKeyZWUSBSHBFFPRNE-UHFFFAOYSA-N
MW175.01 g/mol
LogP2.81
Rot. Bonds1

About 3,4-dichlorobenzaldehyde

3,4-dichlorobenzaldehyde (PubChem CID 22710) has the molecular formula C7H4Cl2O and a molecular weight of 175.01 g/mol. Its IUPAC name is 3,4-dichlorobenzaldehyde.

Molecular Properties

Compound Name3,4-dichlorobenzaldehyde
PubChem CID22710
Molecular FormulaC7H4Cl2O
Molecular Weight175.01 g/mol
Exact Mass173.96
IUPAC Name3,4-dichlorobenzaldehyde
SMILESO=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKeyZWUSBSHBFFPRNE-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.01
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorobenzaldehyde?
The IUPAC name of 3,4-dichlorobenzaldehyde (CID 22710) is 3,4-dichlorobenzaldehyde.
What is the SMILES notation for 3,4-dichlorobenzaldehyde?
The canonical SMILES for 3,4-dichlorobenzaldehyde is O=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichlorobenzaldehyde?
The InChIKey is ZWUSBSHBFFPRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H.
What are the key properties of 3,4-dichlorobenzaldehyde?
3,4-dichlorobenzaldehyde has a molecular weight of 175.01 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorobenzaldehyde is sourced from PubChem (CID 22710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).