4-Bromo-2-fluorophenylacetic Acid - CAS 114897-92-6

Catalog:	BB003447
Product Name:	4-Bromo-2-fluorophenylacetic Acid
CAS:	114897-92-6
Synonyms:	2-(4-bromo-2-fluorophenyl)acetic acid; 2-(4-bromo-2-fluorophenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-bromo-2-fluorophenyl)acetic acid
Description:	4-Bromo-2-fluorophenylacetic Acid (CAS# 114897-92-6) is a useful research chemical.
Molecular Weight:	233.03
Molecular Formula:	C8H6BrFO2
Canonical SMILES:	C1=CC(=C(C=C1Br)F)CC(=O)O
InChI:	InChI=1S/C8H6BrFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChI Key:	PNBIYFPZODYMOO-UHFFFAOYSA-N
Boiling Point:	320.4 °C at 760 mmHg
Density:	1.697 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD09032952
LogP:	2.21530

Publication Number	Title	Priority Date
WO-2021188936-A1	Phd inhibitor compounds, compositions, and use	20200320
WO-2021154796-A1	Glp-1r modulating compounds	20200129
WO-2021081207-A1	Glp-1r modulating compounds	20191025
US-2021171499-A1	Glp-1r modulating compounds	20191025
WO-2021028810-A1	Sulfinic acid compounds as free fatty acid receptor agonists	20190809

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.95352
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.95352
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2