B-(4-Chloro-3-methoxyphenyl)boronic acid

C₇H₈BClO₃CAS 89694-47-3186.40 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
Melting point: 146–151 °C
logP: 0.03Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

89694-47-3

SMILES

COc1cc(B(O)O)ccc1Cl

InChIKey

DZNNRXURZJLARZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(4-chloro-3-methoxyphenyl)-
Benzeneboronic acid, 4-chloro-3-methoxy-
Boronic acid, (4-chloro-3-methoxyphenyl)-
4-Chloro-3-methoxyphenylboronic acid

Work with B-(4-Chloro-3-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

3,4-Dimethoxyphenylboronic acid122775-35-368 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-760 % similar 1,4-Dichloro-2-methoxybenzene1984-58-355 % similar (3-Methoxyphenyl)boronic acid10365-98-751 % similar 5-Bromo-2-chloroanisole16817-43-951 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-351 % similar 1-Chloro-4-fluoro-2-methoxybenzene450-89-551 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-851 % similar

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

Same formula

5-Chloro-2-methoxyphenylboronic acid89694-48-4 B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook