3-(Methylsulfonyl)phenylboronic Acid

Product Information

Molecular Formula:
C7H9O4SB
Molecular Weight:
200.02
Description
3-(Methylsulfonyl)phenylboronic Acid (CAS# 373384-18-0) is a useful research chemical.
Synonyms
(3-methylsulfonylphenyl)boronic acid; (3-methylsulfonylphenyl)boronic acid
IUPAC Name
(3-methylsulfonylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O
InChI
InChI=1S/C7H9BO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key
HZFFUMBZBGETES-UHFFFAOYSA-N
Boiling Point
478.3 °C at 760 mmHg
Flash Point
Not applicable
Density
1.39 g/cm3
LogP
-0.14930

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
200.0314601 g/mol
Monoisotopic Mass
200.0314601 g/mol
Topological Polar Surface Area
83Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
256
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION 2020-06-22
CN-113801087-A Benzo-hexatomic ring derivative as DPP-4 inhibitor and application thereof 2020-06-12
CN-113801088-A Benzo-six-membered ring derivative and application thereof 2020-06-12
WO-2021249566-A1 Benzo six-membered ring derivative and use thereof 2020-06-12
WO-2021203023-A1 Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) 2020-04-03
WO-2021178780-A1 Indazoles and azaindazoles as lrrk2 inhibitors 2020-03-06
WO-2021143927-A1 Compound acting as bcr-abl inhibitor 2020-01-19
WO-2021113263-A1 Crf receptor antagonists and methods of use 2019-12-04
WO-2021012014-A1 Difluorohaloallylamine sulfone derivative inhibitors of lysyl oxidases, methods of preparation, and uses thereof 2019-07-25
TW-202114991-A Difluorohaloallylamine sulfone derivative inhibitors of lysyl oxidases, methods of preparation, and uses thereof 2019-07-25
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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