chempirical

3-(Bromomethyl)phenylboronic acid

C7H8BBrO2CAS 51323-43-4214.85 g/mol

Open in Covalent MOL file
HOBHOBr
Alkyl halideBoronic acid

Properties

Molecular formula
C7H8BBrO2
Molar mass
214.85 g/mol
Exact mass
213.9801 Da
Melting point
214–216 °C
logP
0.26Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
51323-43-4
SMILES
OB(O)c1cccc(CBr)c1
InChIKey
ATRFDLFMCLYROQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BBrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H,5H2

Weigh it out

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Names and synonyms

6 names
  • Boronic acid, B-[3-(bromomethyl)phenyl]-
  • Boronic acid, [3-(bromomethyl)phenyl]-
  • m-Tolueneboronic acid, α-bromo-
  • B-[3-(Bromomethyl)phenyl]boronic acid
  • m-Bromomethylphenylboric acid
  • m-Boronobenzyl bromide

Work with 3-(Bromomethyl)phenylboronic 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-Hydroxymethyl)phenylboronic acid87199-15-363 % similar 1,3-Bis(bromomethyl)benzene626-15-358 % similar (3-Aminomethylphenyl)boronic acid hydrochloride352525-94-156 % similar 3-Fluorophenylboronic acid768-35-453 % similar 3-Benzyloxyphenylboronic acid156682-54-149 % similar 3-Fluorobenzyl bromide456-41-748 % similar 3-Chlorobenzyl bromide766-80-348 % similar 3-Bromobenzyl bromide823-78-948 % similar

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

Elsewhere

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