4-(Methylsulfonyl)phenylboronic acid

C₇H₉BO₄SCAS 149104-88-1200.01 g/mol

Open in Covalent MOL file

Boronic acid Sulfone

Properties

Molecular formula: C₇H₉BO₄S
Molar mass: 200.01 g/mol
Exact mass: 200.0315 Da
logP: -1.23Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

149104-88-1

SMILES

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

InChIKey

VDUKDQTYMWUSAC-UHFFFAOYSA-N

InChI

InChI=1S/C7H9BO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3

Weigh it out

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

Names and synonyms

1 names

4-(Methanesulfonyl)phenylboronic acid

Work with 4-(Methylsulfonyl)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

4-(Methylsulfonyl)phenol14763-60-155 % similar B-[4-[(1-Methylethyl)sulfonyl]phenyl]boronic acid850567-98-555 % similar Methyl phenyl sulfone3112-85-450 % similar 4-Bromophenyl methyl sulfone3466-32-850 % similar [4-(Methylsulfonamido)phenyl]boronic acid380430-57-950 % similar 4-Fluorophenyl methyl sulfone455-15-250 % similar 4-(Methylsulfonyl)aniline5470-49-550 % similar 4-(Methylsulfonyl)benzoic acid4052-30-647 % similar

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

Elsewhere

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