Phenylethane boronic acid

C₈H₁₁BO₂CAS 34420-17-2149.98 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁BO₂
Molar mass: 149.98 g/mol
Exact mass: 150.0852 Da
logP: 0.70Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

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

34420-17-2

SMILES

B(CCC1=CC=CC=C1)(O)O

InChIKey

VPRUMANMDWQMNF-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2

Weigh it out

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Names and synonyms

1 names

Phenethylboronic acid

Work with Phenylethane 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

Benzylboronic acid4463-42-761 % similar Bibenzyl103-29-750 % similar 1,3-Diphenylpropane1081-75-048 % similar 2-Phenylethyl bromide103-63-946 % similar Phenethyl alcohol60-12-846 % similar Benzeneethanamine64-04-046 % similar Benzenepropanol122-97-444 % similar Benzenepropanamine2038-57-544 % 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 3,4-Dimethylphenylboronic acid55499-43-9 B-(2,4-Dimethylphenyl)boronic acid55499-44-0 (4-Ethylphenyl)boronic acid63139-21-9

Elsewhere

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