3-Chloro-4-(trifluoromethyl)phenylboronic acid

C₇H₅BClF₃O₂CAS 847756-88-1224.37 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Boronic acid

Properties

Molecular formula: C₇H₅BClF₃O₂
Molar mass: 224.37 g/mol
Exact mass: 224.0023 Da
logP: 1.04Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

847756-88-1

SMILES

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

InChIKey

OCHKTAGGJMWISO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BClF3O2/c9-6-3-4(8(13)14)1-2-5(6)7(10,11)12/h1-3,13-14H

Weigh it out

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

Names and synonyms

1 names

3-Chloro-4-(trifluoromethyl)benzeneboronic acid

Work with 3-Chloro-4-(trifluoromethyl)phenylboronic 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-Dichlorobenzeneboronic acid151169-75-458 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-657 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-956 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar 3-Chloro-4-hydroxyphenylboronic acid182344-13-453 % similar 2-Chloro-4-methylbenzotrifluoride74483-46-853 % similar 4-Chloro-3-fluorophenylboronic Acid137504-86-051 % similar 3-Trifluoromethylphenylboronic acid1423-26-351 % similar

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

Same formula

4-Chloro-3-(trifluoromethyl)benzeneboronic acid176976-42-4 2-Chloro-5-(trifluoromethyl)phenylboronic acid182344-18-9 [2-Chloro-4-(trifluoromethyl)phenyl]boronic acid254993-59-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook