2-(Methanesulfonyl)phenylboronic acid

C7H9BO4SCAS 330804-03-0200.02 g/mol

Open in Covalent MOL file
BSOOOHHO
Boronic acidSulfone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
330804-03-0
SMILES
B(C1=CC=CC=C1S(=O)(=O)C)(O)O
InChIKey
MSQFFCRGQPVQRS-UHFFFAOYSA-N
InChI
InChI=1S/C7H9BO4S/c1-13(11,12)7-5-3-2-4-6(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
  • 2-(Methylsulfonyl)phenylboronic Acid

Work with 2-(Methanesulfonyl)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-(N,N-Dimethylsulphamoyl)benzeneboronic acid178432-25-257 % similar (2-(Pyrrolidin-1-ylsulfonyl)phenyl)boronic acid913835-83-350 % similar B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-249 % similar 2-Methanesulfonylbenzene-1-sulfonyl chloride89265-35-047 % similar 2-Fluoro-4-methylsulfonylphenylboronic acid957060-85-446 % similar 2-Methanesulfonylbenzoic acid33963-55-246 % similar 2-Methylphenylboronic acid16419-60-644 % similar 2-Biphenylboronic acid4688-76-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Methylsulfonyl)phenylboronic acid149104-88-1 3-(Methylsulfonyl)phenylboronic acid373384-18-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook