chempirical

5-Chloro-2-methoxyphenylboronic acid

C7H8BClO3CAS 89694-48-4186.40 g/mol

Open in Covalent MOL file
OClBHOOH
Aryl halideBoronic acidEther

Properties

Molecular formula
C7H8BClO3
Molar mass
186.40 g/mol
Exact mass
186.0255 Da
Melting point
141–142 °C
logP
0.03Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
89694-48-4
SMILES
COc1ccc(Cl)cc1B(O)O
InChIKey
FMBVAOHFMSQDGT-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3

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Names and synonyms

7 names
  • Boronic acid, B-(5-chloro-2-methoxyphenyl)-
  • Benzeneboronic acid, 5-chloro-2-methoxy-
  • Boronic acid, (5-chloro-2-methoxyphenyl)-
  • B-(5-Chloro-2-methoxyphenyl)boronic acid
  • 2-Methoxy-5-chlorophenylboronic acid
  • 3-Chloro-6-methoxyphenylboronic acid
  • [5-Chloro-2-(methyloxy)phenyl]boronic acid

Work with 5-Chloro-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

5-Chloro-2-ethoxyphenylboronic acid352534-86-264 % similar 2,5-Dimethoxyphenylboronic acid107099-99-064 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-362 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-060 % similar 5-Bromo-2-methoxyphenylboronic acid89694-45-160 % similar 2-Methoxy-5-formylphenylboronic acid127972-02-555 % similar 2-Methoxyphenylboronic acid5720-06-955 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-353 % similar

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

Same formula

B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-3 B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-9

Elsewhere

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