4-Carboxy-3-chlorophenylboronic acid

C₇H₆BClO₄CAS 136496-72-5200.38 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Carboxylic acid

Properties

Molecular formula: C₇H₆BClO₄
Molar mass: 200.38 g/mol
Exact mass: 200.0048 Da
logP: -0.28Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

136496-72-5

SMILES

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

InChIKey

QFAFGWXQNDYXPZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BClO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2-Chloro-4-(dihydroxyboranyl)benzoic acid

Work with 4-Carboxy-3-chlorophenylboronic 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

4-Carboxy-3-fluorophenylboronic acid120153-08-462 % similar 2,4-Dichlorobenzoic acid50-84-060 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-958 % similar 2-Chloro-4-fluorobenzoic acid2252-51-957 % similar 4-Amino-2-chlorobenzoic acid2457-76-357 % similar 4-Bromo-2-chlorobenzoic acid59748-90-257 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-156 % similar 3-Carboxyphenylboronic acid25487-66-554 % similar

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

Same formula

4-Borono-3-chlorobenzoic acid851335-09-6 3-Borono-4-chlorobenzoic acid913835-75-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook