3-Chloro-4-methoxybenzeneboronic acid

C₇H₈BClO₃CAS 175883-60-0186.40 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

175883-60-0

SMILES

B(C1=CC(=C(C=C1)OC)Cl)(O)O

InChIKey

VUTJHOWRPUPHIG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Chloro-4-methoxyphenylboronic acid

Work with 3-Chloro-4-methoxybenzeneboronic 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 3-Chloro-4-ethoxyphenylboronic acid279261-81-364 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-262 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-660 % similar 3,4-Dichlorobenzeneboronic acid151169-75-458 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-356 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-756 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-855 % similar

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

Same formula

2-Chloro-4-methoxyphenylboronic acid219735-99-6 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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