3,4-dibromobenzaldehyde

C7H4Br2O — CID 622053

IUPAC3,4-dibromobenzaldehyde
SMILESO=Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C7H4Br2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKeyUTYRZXNEFUYFCJ-UHFFFAOYSA-N
MW263.92 g/mol
LogP3.02
Rot. Bonds1

About 3,4-dibromobenzaldehyde

3,4-dibromobenzaldehyde (PubChem CID 622053) has the molecular formula C7H4Br2O and a molecular weight of 263.92 g/mol. Its IUPAC name is 3,4-dibromobenzaldehyde.

Molecular Properties

Compound Name3,4-dibromobenzaldehyde
PubChem CID622053
Molecular FormulaC7H4Br2O
Molecular Weight263.92 g/mol
Exact Mass261.86
IUPAC Name3,4-dibromobenzaldehyde
SMILESO=Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C7H4Br2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKeyUTYRZXNEFUYFCJ-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.92
LogP ≤ 53.02
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-dibromobenzaldehyde?
The IUPAC name of 3,4-dibromobenzaldehyde (CID 622053) is 3,4-dibromobenzaldehyde.
What is the SMILES notation for 3,4-dibromobenzaldehyde?
The canonical SMILES for 3,4-dibromobenzaldehyde is O=Cc1ccc(Br)c(Br)c1.
What is the InChIKey of 3,4-dibromobenzaldehyde?
The InChIKey is UTYRZXNEFUYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H.
What are the key properties of 3,4-dibromobenzaldehyde?
3,4-dibromobenzaldehyde has a molecular weight of 263.92 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromobenzaldehyde is sourced from PubChem (CID 622053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).