Phenylethane boronic acid

C8H11BO2CAS 34420-17-2149.98 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
0.70Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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-Dimethylphenylboronic 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 (2,5-Dimethylphenyl)boronic acid85199-06-0 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-1

Elsewhere

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