3-bromo-4-chlorobenzaldehyde

C7H4BrClO — CID 14049809

IUPAC3-bromo-4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKeyAKDABJGHOOCVKX-UHFFFAOYSA-N
MW219.47 g/mol
LogP2.91
Rot. Bonds1

About 3-bromo-4-chlorobenzaldehyde

3-bromo-4-chlorobenzaldehyde (PubChem CID 14049809) has the molecular formula C7H4BrClO and a molecular weight of 219.47 g/mol. Its IUPAC name is 3-bromo-4-chlorobenzaldehyde.

Molecular Properties

Compound Name3-bromo-4-chlorobenzaldehyde
PubChem CID14049809
Molecular FormulaC7H4BrClO
Molecular Weight219.47 g/mol
Exact Mass217.91
IUPAC Name3-bromo-4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKeyAKDABJGHOOCVKX-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 3-bromo-4-chlorobenzaldehyde?
The IUPAC name of 3-bromo-4-chlorobenzaldehyde (CID 14049809) is 3-bromo-4-chlorobenzaldehyde.
What is the SMILES notation for 3-bromo-4-chlorobenzaldehyde?
The canonical SMILES for 3-bromo-4-chlorobenzaldehyde is O=Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chlorobenzaldehyde?
The InChIKey is AKDABJGHOOCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H.
What are the key properties of 3-bromo-4-chlorobenzaldehyde?
3-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 3-bromo-4-chlorobenzaldehyde is sourced from PubChem (CID 14049809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).