3-(Methylsulfonyl)phenylboronic acid

C₇H₉BO₄SCAS 373384-18-0200.01 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

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

373384-18-0

SMILES

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

InChIKey

HZFFUMBZBGETES-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-(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

1,3-Benzenediboronic acid4612-28-652 % similar 3-Iodophenylboronic acid221037-98-552 % similar 3-Bromophenylmethylsulfone34896-80-551 % similar 3-(Methylsulphonyl)aniline35216-39-851 % similar 3-(Methylsulfonylamino)phenylboronic acid148355-75-351 % similar 3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-050 % similar 3-Methanesulfonylbenzoic acid5345-27-749 % similar Methyl phenyl sulfone3112-85-448 % similar

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

Same formula

4-(Methylsulfonyl)phenylboronic acid149104-88-1 2-(Methanesulfonyl)phenylboronic acid330804-03-0

Elsewhere

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