2-bromo-4-chlorobenzaldehyde

C7H4BrClO — CID 13154710

IUPAC2-bromo-4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C7H4BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKeyAJOAHIKYBSZIEV-UHFFFAOYSA-N
MW219.47 g/mol
LogP2.91
Rot. Bonds1

About 2-bromo-4-chlorobenzaldehyde

2-bromo-4-chlorobenzaldehyde (PubChem CID 13154710) has the molecular formula C7H4BrClO and a molecular weight of 219.47 g/mol. Its IUPAC name is 2-bromo-4-chlorobenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-chlorobenzaldehyde
PubChem CID13154710
Molecular FormulaC7H4BrClO
Molecular Weight219.47 g/mol
Exact Mass217.91
IUPAC Name2-bromo-4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C7H4BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKeyAJOAHIKYBSZIEV-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.47
LogP ≤ 52.91
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 2-bromo-4-chlorobenzaldehyde?
The IUPAC name of 2-bromo-4-chlorobenzaldehyde (CID 13154710) is 2-bromo-4-chlorobenzaldehyde.
What is the SMILES notation for 2-bromo-4-chlorobenzaldehyde?
The canonical SMILES for 2-bromo-4-chlorobenzaldehyde is O=Cc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chlorobenzaldehyde?
The InChIKey is AJOAHIKYBSZIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H.
What are the key properties of 2-bromo-4-chlorobenzaldehyde?
2-bromo-4-chlorobenzaldehyde has a molecular weight of 219.47 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chlorobenzaldehyde is sourced from PubChem (CID 13154710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).