2-Methyl-4-(trifluoromethyl)phenylboronic acid

C₈H₈BF₃O₂CAS 957034-45-6203.96 g/mol

Open in Covalent MOL file

Alkyl halide Boronic acid

Properties

Molecular formula: C₈H₈BF₃O₂
Molar mass: 203.96 g/mol
Exact mass: 204.0569 Da
logP: 0.69Crippen 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

957034-45-6

SMILES

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

InChIKey

USEHFBIGOATLIA-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BF3O2/c1-5-4-6(8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3

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

Names and synonyms

1 names

2-Methyl-4-(trifluoromethyl)benzeneboronic acid

Work with 2-Methyl-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

2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-264 % similar 2-Fluoro-4-(trifluoromethyl)benzeneboronic acid503309-11-362 % similar [2-Chloro-4-(trifluoromethyl)phenyl]boronic acid254993-59-460 % similar (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-359 % similar 3,4-Dimethylbenzotrifluoride78164-31-558 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-757 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-856 % similar 2-Chloro-5-(trifluoromethyl)phenylboronic acid182344-18-956 % similar

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

Elsewhere

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