(5-bromo-2-chlorophenoxy)boronic acid

C6H5BBrClO3 — CID 142782143

IUPAC(5-bromo-2-chlorophenoxy)boronic acid
SMILESOB(O)Oc1cc(Br)ccc1Cl
InChIInChI=1S/C6H5BBrClO3/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,10-11H
InChIKeyHOAOFCUTZOPZIG-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.45
Rot. Bonds2

About (5-bromo-2-chlorophenoxy)boronic acid

(5-bromo-2-chlorophenoxy)boronic acid (PubChem CID 142782143) has the molecular formula C6H5BBrClO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is (5-bromo-2-chlorophenoxy)boronic acid.

Molecular Properties

Compound Name(5-bromo-2-chlorophenoxy)boronic acid
PubChem CID142782143
Molecular FormulaC6H5BBrClO3
Molecular Weight251.27 g/mol
Exact Mass249.92
IUPAC Name(5-bromo-2-chlorophenoxy)boronic acid
SMILESOB(O)Oc1cc(Br)ccc1Cl
InChIInChI=1S/C6H5BBrClO3/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,10-11H
InChIKeyHOAOFCUTZOPZIG-UHFFFAOYSA-N
XLogP1.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-methylphenoxy)boronic acid
CID 142782139
(4-bromo-2-propan-2-ylphenoxy)boronic acid
CID 172686139
(5-acetyl-2-chlorophenoxy)boronic acid
CID 142734077
4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene
CID 162775406
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
CID 79167187
4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
CID 66043796
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
4-bromo-1-chloro-2-[(Z)-3-chloro-2-methylprop-2-enoxy]benzene
CID 106438538
1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one
CID 107508163
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429
(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid
CID 139884509

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenoxy)boronic acid?
The IUPAC name of (5-bromo-2-chlorophenoxy)boronic acid (CID 142782143) is (5-bromo-2-chlorophenoxy)boronic acid.
What is the SMILES notation for (5-bromo-2-chlorophenoxy)boronic acid?
The canonical SMILES for (5-bromo-2-chlorophenoxy)boronic acid is OB(O)Oc1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenoxy)boronic acid?
The InChIKey is HOAOFCUTZOPZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BBrClO3/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,10-11H.
What are the key properties of (5-bromo-2-chlorophenoxy)boronic acid?
(5-bromo-2-chlorophenoxy)boronic acid has a molecular weight of 251.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenoxy)boronic acid is sourced from PubChem (CID 142782143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).