5-Chloro-2-methylphenylboronic acid

C₇H₈BClO₂CAS 148839-33-2170.40 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₇H₈BClO₂
Molar mass: 170.40 g/mol
Exact mass: 170.0306 Da
logP: 0.33Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

148839-33-2

SMILES

B(C1=C(C=CC(=C1)Cl)C)(O)O

InChIKey

QWTHTSAWMJFMOV-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

1 names

(5-Chloro-2-methylphenyl)boronic acid

Work with 5-Chloro-2-methylphenylboronic 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

5-Fluoro-2-methylphenylboronic acid163517-62-256 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-456 % similar 4-Chloro-1,2-dimethylbenzene615-60-154 % similar 5-Chloro-2-methylphenol5306-98-952 % similar 5-Chloro-2-ethoxyphenylboronic acid352534-86-251 % similar 2-Methylphenylboronic acid16419-60-650 % similar 2,4-Dichlorotoluene95-73-850 % similar B-(4-Chloro-2-formylphenyl)boronic acid913835-76-447 % similar

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

Same formula

B-(3-Chloro-4-methylphenyl)boronic acid175883-63-3

Elsewhere

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