3-Methylphenylboronic acid

C₇H₉BO₂CAS 17933-03-8135.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉BO₂
Molar mass: 135.96 g/mol
Exact mass: 136.0696 Da
Melting point: 157 °C
logP: -0.33Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

17933-03-8

SMILES

Cc1cccc(B(O)O)c1

InChIKey

BJQCPCFFYBKRLM-UHFFFAOYSA-N

InChI

InChI=1S/C7H9BO2/c1-6-3-2-4-7(5-6)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-(3-methylphenyl)-
m-Tolueneboronic acid
Boronic acid, (3-methylphenyl)-
B-(3-Methylphenyl)boronic acid
m-Tolylboronic acid
m-Methylbenzeneboronic acid
m-Tolyldihydroxyborane
m-Methylphenylboronic acid
m-Boronotoluene
3-Methylbenzeneboronic acid
3-Tolylboronic acid

Work with 3-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

(3,5-Dimethylphenyl)boronic acid172975-69-860 % similar 3-(Methylthio)benzeneboronic acid128312-11-857 % similar Phenylboronic acid98-80-654 % similar 3-Fluorophenylboronic acid768-35-454 % similar (3-Hydroxyphenyl)boronic acid87199-18-654 % similar M-Xylene108-38-352 % similar 3-Aminophenylboronic acid30418-59-852 % similar (3-Methoxyphenyl)boronic acid10365-98-752 % similar

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

Same formula

2-Methylphenylboronic acid16419-60-6 P-Tolylboronic acid5720-05-8

Elsewhere

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