3-Chloro-2-fluorophenylboronic acid

C₆H₅BClFO₂CAS 352535-82-1174.36 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BClFO₂
Molar mass: 174.36 g/mol
Exact mass: 174.0055 Da
logP: 0.16Crippen 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

352535-82-1

SMILES

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

InChIKey

SUYRGLRWMPEARP-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H

Weigh it out

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Work with 3-Chloro-2-fluorophenylboronic 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

(2,3-Difluorophenyl)boronic acid121219-16-768 % similar 2-Chlorophenylboronic acid3900-89-863 % similar (3-Bromo-2-fluorophenyl)boronic acid352535-97-860 % similar (2,3-Dichlorophenyl)boronic acid151169-74-359 % similar 1,3-Dichloro-2-fluorobenzene2268-05-556 % similar 2-Fluoro-3-(trifluoromethyl)benzeneboronic acid157834-21-455 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-453 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-953 % similar

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

Same formula

4-Chloro-3-fluorophenylboronic Acid137504-86-0 3-Chloro-4-fluorophenylboronic acid144432-85-9 (4-Chloro-2-fluorophenyl)boronic acid160591-91-3 2-Chloro-6-fluorophenylboronic acid313545-32-3 2-Chloro-4-fluorobenzeneboronic acid313545-72-1 3-Chloro-5-fluorophenylboronic acid328956-61-2 (5-Chloro-2-fluoro-phenyl)boronic acid352535-83-2 2-Chloro-5-fluorobenzeneboronic acid444666-39-1

Elsewhere

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