B-(3-Chloro-4-methylphenyl)boronic acid

C₇H₈BClO₂CAS 175883-63-3170.40 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

175883-63-3

SMILES

Cc1ccc(B(O)O)cc1Cl

InChIKey

YTJUYWRCAZWVSX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(3-chloro-4-methylphenyl)-
Boronic acid, (3-chloro-4-methylphenyl)-
(3-Chloro-4-methylphenyl)boronic acid

Work with B-(3-Chloro-4-methylphenyl)boronic 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

Chloro-P-xylene95-72-752 % similar 3-Chloro-4-methylphenol615-62-352 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-351 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-351 % similar 2,4-Dichlorotoluene95-73-850 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-448 % similar 3-Methylphenylboronic acid17933-03-847 % similar 2-Chloro-4-fluoro-1-methylbenzene452-73-347 % similar

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

Same formula

5-Chloro-2-methylphenylboronic acid148839-33-2

Elsewhere

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