3-Fluoro-4-(methylsulfonyl)phenylboronic Acid - CAS 648904-83-0

Catalog:	BB032584
Product Name:	3-Fluoro-4-(methylsulfonyl)phenylboronic Acid
CAS:	648904-83-0
Synonyms:	(3-fluoro-4-methylsulfonylphenyl)boronic acid; (3-fluoro-4-methylsulfonylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-fluoro-4-methylsulfonylphenyl)boronic acid
Description:	3-Fluoro-4-(methylsulfonyl)phenylboronic Acid (CAS# 648904-83-0) is a useful research chemical.
Molecular Weight:	218.01
Molecular Formula:	C7H8FO4SB
Canonical SMILES:	B(C1=CC(=C(C=C1)S(=O)(=O)C)F)(O)O
InChI:	InChI=1S/C7H8BFO4S/c1-14(12,13)7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
InChI Key:	RJKFNKNDTBNEST-UHFFFAOYSA-N
LogP:	-0.01020

Publication Number	Title	Priority Date
US-2020345699-A1	Hiv protease inhibitors	20190417
WO-2020214716-A1	2-imino-5-oxo-imidazolidine inhibitors of hiv protease	20190417
KR-20200060269-A	Novel tricyclic compound as IRAK4 inhibitors	20181121
WO-2020106059-A1	Novel tricyclic compound as irak4 inhibitor	20181121
EP-3885348-A1	Novel tricyclic compound as irak4 inhibitor	20181121

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[2246646-61-5]
2-(3-((4-Bromo-2-chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.0220382
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	218.0220382
Rotatable Bond Count:	2
Topological Polar Surface Area:	83 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0