chempirical

2-Chloro-6-fluoro-5-methylphenylboronic acid

C7H7BClFO2CAS 352535-86-5188.39 g/mol

Open in Covalent MOL file
BFClHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C7H7BClFO2
Molar mass
188.39 g/mol
Exact mass
188.0212 Da
logP
0.47Crippen estimate
Polar surface area
40.5 Ų
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
352535-86-5
SMILES
B(C1=C(C=CC(=C1F)C)Cl)(O)O
InChIKey
OXBULPFGOYOICC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BClFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3

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Work with 2-Chloro-6-fluoro-5-methylphenylboronic 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

6-Chloro-2-fluoro-3-methylbenzyl alcohol261762-84-951 % similar 2-Chloro-6-fluorophenylboronic acid313545-32-349 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-248 % similar 6-Chloro-2-fluoro-3-methylbenzoic acid32890-90-748 % similar 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-747 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-347 % similar 2,6-Dimethylphenylboronic acid100379-00-847 % similar 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-745 % similar

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

Elsewhere

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