(2,4-dibromophenyl)boronic acid

C6H5BBr2O2 — CID 90419202

IUPAC(2,4-dibromophenyl)boronic acid
SMILESOB(O)c1ccc(Br)cc1Br
InChIInChI=1S/C6H5BBr2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKeyVWCZANMQOQOJTE-UHFFFAOYSA-N
MW279.72 g/mol
LogP0.89
Rot. Bonds1

About (2,4-dibromophenyl)boronic acid

(2,4-dibromophenyl)boronic acid (PubChem CID 90419202) has the molecular formula C6H5BBr2O2 and a molecular weight of 279.72 g/mol. Its IUPAC name is (2,4-dibromophenyl)boronic acid.

Molecular Properties

Compound Name(2,4-dibromophenyl)boronic acid
PubChem CID90419202
Molecular FormulaC6H5BBr2O2
Molecular Weight279.72 g/mol
Exact Mass277.87
IUPAC Name(2,4-dibromophenyl)boronic acid
SMILESOB(O)c1ccc(Br)cc1Br
InChIInChI=1S/C6H5BBr2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKeyVWCZANMQOQOJTE-UHFFFAOYSA-N
XLogP0.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bromobenzene
CID 7961
(4-Bromophenyl)boronic acid
CID 79599
1,3,5-Tribromobenzene
CID 12279
1,3-Dibromobenzene
CID 7927
(3-Bromophenyl)boronic acid
CID 2734318
1,2,3-Tribromobenzene
CID 11842
Bromo(2H5)benzene
CID 2723968
3,5-Dibromobenzeneboronic acid
CID 2734689
(2-Bromophenyl)boronic acid
CID 2773294
(5-Bromo-2-fluorophenyl)boronic acid
CID 10856974
Benzene-d, 4-bromo-
CID 12204136
2-Bromo-5-fluorobenzeneboronic acid
CID 15869697

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)boronic acid?
The IUPAC name of (2,4-dibromophenyl)boronic acid (CID 90419202) is (2,4-dibromophenyl)boronic acid.
What is the SMILES notation for (2,4-dibromophenyl)boronic acid?
The canonical SMILES for (2,4-dibromophenyl)boronic acid is OB(O)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)boronic acid?
The InChIKey is VWCZANMQOQOJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BBr2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H.
What are the key properties of (2,4-dibromophenyl)boronic acid?
(2,4-dibromophenyl)boronic acid has a molecular weight of 279.72 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)boronic acid is sourced from PubChem (CID 90419202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).