2-Fluoro-4-methylsulfonylphenylboronic acid

C₇H₈BFO₄SCAS 957060-85-4218.01 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Sulfone

Properties

Molecular formula: C₇H₈BFO₄S
Molar mass: 218.01 g/mol
Exact mass: 218.0220 Da
logP: -1.09Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

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

957060-85-4

SMILES

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

InChIKey

VTSHDQJNJIIHGS-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BFO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3

Weigh it out

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Names and synonyms

1 names

2-Fluoro-4-(methylsulphonyl)benzeneboronic acid

Work with 2-Fluoro-4-methylsulfonylphenylboronic 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

1,2-Difluoro-4-(methylsulfonyl)benzene424792-57-462 % similar 4-(Methylsulfonyl)phenylboronic acid149104-88-153 % similar 2-Fluoro-4-methylphenylboronic acid170981-26-751 % similar 3-(Methylsulfonyl)phenylboronic acid373384-18-051 % similar 2,4-Difluorophenylboronic acid144025-03-650 % similar (2-Fluoro-4-methoxyphenyl)boronic acid162101-31-748 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-648 % similar (4-Chloro-2-fluorophenyl)boronic acid160591-91-347 % similar

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

Elsewhere

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