3-Bromo-5-(methylsulfonyl)benzoic Acid - CAS 1186518-98-8

Catalog:	BB004197
Product Name:	3-Bromo-5-(methylsulfonyl)benzoic Acid
CAS:	1186518-98-8
Synonyms:	3-bromo-5-methylsulfonylbenzoic acid; 3-bromo-5-methylsulfonylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-5-methylsulfonylbenzoic acid
Description:	3-Bromo-5-(methylsulfonyl)benzoic Acid (CAS# 1186518-98-8 ) is a useful research chemical.
Molecular Weight:	279.11
Molecular Formula:	C8H7BrO4S
Canonical SMILES:	CS(=O)(=O)C1=CC(=CC(=C1)C(=O)O)Br
InChI:	InChI=1S/C8H7BrO4S/c1-14(12,13)7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)
InChI Key:	SGQDIUIVEWBSEB-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.63160

Publication Number	Title	Priority Date
US-2021115053-A1	Bicyclic heterocycles as fgfr inhibitors	20191016
WO-2021076728-A1	Bicyclic heterocycles as fgfr inhibitors	20191016
CA-2715835-A1	Amide compounds, compositions and uses thereof	20080229
CA-2715835-C	Amide compounds, compositions and uses thereof	20080229
CN-101981003-A	Amide compounds, compositions and uses thereof	20080229

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.92484
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	277.92484
Rotatable Bond Count:	2
Topological Polar Surface Area:	79.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4