2-bromo-6-(2-bromophenyl)benzaldehyde

C13H8Br2O — CID 90419331

IUPAC2-bromo-6-(2-bromophenyl)benzaldehyde
SMILESO=Cc1c(Br)cccc1-c1ccccc1Br
InChIInChI=1S/C13H8Br2O/c14-12-6-2-1-4-10(12)9-5-3-7-13(15)11(9)8-16/h1-8H
InChIKeyOIZVUDKPDAYICA-UHFFFAOYSA-N
MW340.01 g/mol
LogP4.69
Rot. Bonds2

About 2-bromo-6-(2-bromophenyl)benzaldehyde

2-bromo-6-(2-bromophenyl)benzaldehyde (PubChem CID 90419331) has the molecular formula C13H8Br2O and a molecular weight of 340.01 g/mol. Its IUPAC name is 2-bromo-6-(2-bromophenyl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-6-(2-bromophenyl)benzaldehyde
PubChem CID90419331
Molecular FormulaC13H8Br2O
Molecular Weight340.01 g/mol
Exact Mass337.89
IUPAC Name2-bromo-6-(2-bromophenyl)benzaldehyde
SMILESO=Cc1c(Br)cccc1-c1ccccc1Br
InChIInChI=1S/C13H8Br2O/c14-12-6-2-1-4-10(12)9-5-3-7-13(15)11(9)8-16/h1-8H
InChIKeyOIZVUDKPDAYICA-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.01
LogP ≤ 54.69
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-6-(2-bromophenyl)benzaldehyde?
The IUPAC name of 2-bromo-6-(2-bromophenyl)benzaldehyde (CID 90419331) is 2-bromo-6-(2-bromophenyl)benzaldehyde.
What is the SMILES notation for 2-bromo-6-(2-bromophenyl)benzaldehyde?
The canonical SMILES for 2-bromo-6-(2-bromophenyl)benzaldehyde is O=Cc1c(Br)cccc1-c1ccccc1Br.
What is the InChIKey of 2-bromo-6-(2-bromophenyl)benzaldehyde?
The InChIKey is OIZVUDKPDAYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2O/c14-12-6-2-1-4-10(12)9-5-3-7-13(15)11(9)8-16/h1-8H.
What are the key properties of 2-bromo-6-(2-bromophenyl)benzaldehyde?
2-bromo-6-(2-bromophenyl)benzaldehyde has a molecular weight of 340.01 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-bromophenyl)benzaldehyde is sourced from PubChem (CID 90419331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).