4-Bromo-2,5-dimethylphenylboronic acid

C₈H₁₀BBrO₂CAS 130870-00-7228.88 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₈H₁₀BBrO₂
Molar mass: 228.88 g/mol
Exact mass: 227.9957 Da
logP: 0.75Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

130870-00-7

SMILES

B(C1=CC(=C(C=C1C)Br)C)(O)O

InChIKey

FUVZURQKCDUKIR-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BBrO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,11-12H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Bromo-2,5-dimethylphenylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dibromo-P-xylene1074-24-458 % similar 1-Bromo-2,4,5-trimethylbenzene5469-19-254 % similar 1,5-Dibromo-2,4-dimethylbenzene615-87-250 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-047 % similar B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-845 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-844 % similar 5-Fluoro-2-methylphenylboronic acid163517-62-244 % similar 2-Methylphenylboronic acid16419-60-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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