chempirical

(2,5-Dimethylphenyl)boronic acid

C8H11BO2CAS 85199-06-0149.98 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C8H11BO2
Molar mass
149.98 g/mol
Exact mass
150.0852 Da
logP
-0.02Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
85199-06-0
SMILES
B(C1=C(C=CC(=C1)C)C)(O)O
InChIKey
OOMZKLJLVGQZGV-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,10-11H,1-2H3

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Names and synonyms

1 names
  • 2,5-Dimethylphenylboronic acid

Work with (2,5-Dimethylphenyl)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

5-Chloro-2-methylphenylboronic acid148839-33-260 % similar 5-Fluoro-2-methylphenylboronic acid163517-62-260 % similar 2-Fluoro-5-methylphenylboronic acid166328-16-160 % similar 2-Chloro-5-methylphenylboronic acid193353-35-460 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-356 % similar 2-Fluoro-4-methylphenylboronic acid170981-26-755 % similar 2-Methylphenylboronic acid16419-60-654 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-451 % similar

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

Same formula

2,6-Dimethylphenylboronic acid100379-00-8 (3,5-Dimethylphenyl)boronic acid172975-69-8 2,3-Dimethylphenylboronic acid183158-34-1 Phenylethane boronic acid34420-17-2 3,4-Dimethylphenylboronic acid55499-43-9 B-(2,4-Dimethylphenyl)boronic acid55499-44-0 (4-Ethylphenyl)boronic acid63139-21-9 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-1

Elsewhere

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