chempirical

(2-Chloro-5-methoxyphenyl)boronic acid

C7H8BClO3CAS 89694-46-2186.40 g/mol

Open in Covalent MOL file
BOClOHHO
Aryl halideBoronic acidEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
89694-46-2
SMILES
B(C1=C(C=CC(=C1)OC)Cl)(O)O
InChIKey
REFXAANPQCJZRY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BClO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3

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Names and synonyms

1 names
  • 2-Chloro-5-methoxyphenylboronic acid

Work with (2-Chloro-5-methoxyphenyl)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

2,5-Dimethoxyphenylboronic acid107099-99-064 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-760 % similar 2-Chloro-5-(trifluoromethoxy)phenylboronic acid1022922-16-259 % similar 2,4-Dimethoxybenzeneboronic acid133730-34-459 % similar 1,2-Dichloro-4-methoxybenzene36404-30-558 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-057 % similar 2-Chloro-5-methoxyphenol18113-04-756 % similar 2-Chloro-5-methylphenylboronic acid193353-35-456 % 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 B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-3 5-Chloro-2-methoxyphenylboronic acid89694-48-4 B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-9

Elsewhere

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