(3,5-dichlorophenyl)boronic acid

C6H5BCl2O2 — CID 2734331

IUPAC(3,5-dichlorophenyl)boronic acid
SMILESOB(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKeyDKYRKAIKWFHQHM-UHFFFAOYSA-N
MW190.82 g/mol
LogP0.67
Rot. Bonds1

About (3,5-dichlorophenyl)boronic acid

(3,5-dichlorophenyl)boronic acid (PubChem CID 2734331) has the molecular formula C6H5BCl2O2 and a molecular weight of 190.82 g/mol. Its IUPAC name is (3,5-dichlorophenyl)boronic acid.

Molecular Properties

Compound Name(3,5-dichlorophenyl)boronic acid
PubChem CID2734331
Molecular FormulaC6H5BCl2O2
Molecular Weight190.82 g/mol
Exact Mass189.98
IUPAC Name(3,5-dichlorophenyl)boronic acid
SMILESOB(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKeyDKYRKAIKWFHQHM-UHFFFAOYSA-N
XLogP0.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.82
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)boronic acid?
The IUPAC name of (3,5-dichlorophenyl)boronic acid (CID 2734331) is (3,5-dichlorophenyl)boronic acid.
What is the SMILES notation for (3,5-dichlorophenyl)boronic acid?
The canonical SMILES for (3,5-dichlorophenyl)boronic acid is OB(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)boronic acid?
The InChIKey is DKYRKAIKWFHQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H.
What are the key properties of (3,5-dichlorophenyl)boronic acid?
(3,5-dichlorophenyl)boronic acid has a molecular weight of 190.82 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)boronic acid is sourced from PubChem (CID 2734331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).