2-Methylphenylboronic acid

C₇H₉BO₂CAS 16419-60-6135.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉BO₂
Molar mass: 135.96 g/mol
Exact mass: 136.0696 Da
Melting point: 166.5 °C
logP: -0.33Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

16419-60-6

SMILES

Cc1ccccc1B(O)O

InChIKey

NSJVYHOPHZMZPN-UHFFFAOYSA-N

InChI

InChI=1S/C7H9BO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3

Weigh it out

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

Names and synonyms

11 names

Boronic acid, B-(2-methylphenyl)-
o-Tolueneboronic acid
Boronic acid, (2-methylphenyl)-
B-(2-Methylphenyl)boronic acid
o-Tolylboronic acid
o-Methylphenylboronic acid
2-Methyl-1-phenylboronic acid
2-Tolueneboronic acid
o-Boronotoluene
(2-Tolyl)boronic acid
2-Methylbenzeneboronic acid

Work with 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

2,3-Dimethylphenylboronic acid183158-34-165 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-457 % similar 2,6-Dimethylphenylboronic acid100379-00-856 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-054 % similar B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-852 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-850 % similar 5-Fluoro-2-methylphenylboronic acid163517-62-250 % similar B-(2-Ethenylphenyl)boronic acid15016-42-948 % similar

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

Same formula

3-Methylphenylboronic acid17933-03-8 P-Tolylboronic acid5720-05-8

Elsewhere

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