B-(3-Chloro-5-methoxyphenyl)boronic acid

C₇H₈BClO₃CAS 915201-07-9186.40 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₈BClO₃
Molar mass: 186.40 g/mol
Exact mass: 186.0255 Da
logP: 0.03Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

915201-07-9

SMILES

COc1cc(Cl)cc(B(O)O)c1

InChIKey

WAVZSRUGKKOQRB-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(3-chloro-5-methoxyphenyl)-
Boronic acid, (3-chloro-5-methoxyphenyl)-
3-Chloro-5-methoxyphenylboronic acid

Work with B-(3-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

1,3-Dichloro-5-methoxybenzene33719-74-361 % similar 1-Chloro-3,5-dimethoxybenzene7051-16-361 % similar (3-Methoxyphenyl)boronic acid10365-98-758 % similar 3-Chloro-5-methoxyphenol65262-96-655 % similar 1-Chloro-3-fluoro-5-methoxybenzene202925-08-450 % similar (4-Methoxyphenyl)boronic acid5720-07-050 % similar 3-Chloroanisole2845-89-845 % similar 3,4-Dimethoxyphenylboronic acid122775-35-342 % similar

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

Same formula

B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-3 5-Chloro-2-methoxyphenylboronic acid89694-48-4

Elsewhere

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