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

Hazards

Warning
Irritant (GHS07)

Aggregated from 11 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
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

Weigh it out

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

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 5-Isopropyl-2-methoxyphenylboronic acid216393-63-457 % similar 5-Chloro-2-methylphenylboronic acid148839-33-256 % similar 2-Methoxy-5-formylphenylboronic acid127972-02-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-methoxybenzeneboronic acid175883-60-0 2-Chloro-4-methoxyphenylboronic acid219735-99-6 2-Chloro-6-methoxyphenylboronic acid385370-80-9 4-Chloro-2-methoxyphenylboronic acid762287-57-0 (2-Chloro-5-methoxyphenyl)boronic acid89694-46-2 (4-Chloro-3-methoxyphenyl)boronic acid89694-47-3 3-Chloro-5-methoxybenzeneboronic acid915201-07-9

Elsewhere

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