chempirical

5-Bromo-2-methoxyphenylboronic acid

C7H8BBrO3CAS 89694-45-1230.85 g/mol

Open in Covalent MOL file
OBrBHOOH
Aryl halideBoronic acidEther

Properties

Molecular formula
C7H8BBrO3
Molar mass
230.85 g/mol
Exact mass
229.9750 Da
Melting point
130.5–131 °C
logP
0.14Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
89694-45-1
SMILES
COc1ccc(Br)cc1B(O)O
InChIKey
FVRLSHRAYPFXRQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3

Weigh it out

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Names and synonyms

6 names
  • Boronic acid, B-(5-bromo-2-methoxyphenyl)-
  • Benzeneboronic acid, 5-bromo-2-methoxy-
  • Boronic acid, (5-bromo-2-methoxyphenyl)-
  • B-(5-Bromo-2-methoxyphenyl)boronic acid
  • 5-Bromo-2-methoxybenzeneboronic acid
  • 3-Bromo-6-methoxyphenylboronic acid

Work with 5-Bromo-2-methoxyphenylboronic 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

2,5-Dimethoxyphenylboronic acid107099-99-064 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-362 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-060 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-460 % similar Bromoveratrole2859-78-158 % similar 5-Bromo-2-methoxyphenol37942-01-156 % similar 2-Methoxy-5-formylphenylboronic acid127972-02-555 % similar 2,4-Dibromoanisole21702-84-155 % similar

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

Elsewhere

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