2-Bromo-4-fluorophenylacetic Acid - CAS 61150-59-2

Catalog:	BB030972
Product Name:	2-Bromo-4-fluorophenylacetic Acid
CAS:	61150-59-2
Synonyms:	2-(2-bromo-4-fluorophenyl)acetic acid; 2-(2-bromo-4-fluorophenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2-bromo-4-fluorophenyl)acetic acid
Description:	2-Bromo-4-fluorophenylacetic Acid (CAS# 61150-59-2) is a useful research chemical.
Molecular Weight:	233.03
Molecular Formula:	C8H6BrFO2
Canonical SMILES:	C1=CC(=C(C=C1F)Br)CC(=O)O
InChI:	InChI=1S/C8H6BrFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
InChI Key:	MJSGXOXCPKTZTK-UHFFFAOYSA-N
Boiling Point:	320.3 °C at 760 mmHg
Density:	1.697 g/cm³
LogP:	2.21530

Publication Number	Title	Priority Date
CN-110845337-A	Method for synthesizing 2-bromo-4-fluoro-5-amino-ethyl phenylacetate	20191127
CN-112624972-A	Acridone compound and medical application thereof	20190924
WO-2020104657-A1	Nlrp3 inhibitors	20181123
EP-3883646-A1	Nlrp3 inhibitors	20181123
CN-110577532-A	Tropomyosin receptor kinase inhibitor and preparation method and application thereof	20180608

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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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