2-Bromo-2-fluoroacetic Acid - CAS 359-25-1

Catalog:	BB022804
Product Name:	2-Bromo-2-fluoroacetic Acid
CAS:	359-25-1
Synonyms:	2-bromo-2-fluoroacetic acid; 2-bromo-2-fluoroacetic acid

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Computed Properties

IUPAC Name:	2-bromo-2-fluoroacetic acid
Description:	2-Bromo-2-fluoroacetic Acid (CAS# 359-25-1) is a useful research chemical.
Molecular Weight:	156.94
Molecular Formula:	C2H2BrFO2
Canonical SMILES:	C(C(=O)O)(F)Br
InChI:	InChI=1S/C2H2BrFO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChI Key:	ICTXGKNZADORBH-UHFFFAOYSA-N
Boiling Point:	183 ℃ at 760 mmHg
Density:	2.087 g/cm³
LogP:	0.76150

Publication Number	Title	Priority Date
US-2021289794-A1	Compositions and related methods for agriculture	20180725
AU-2017325863-A1	Beta-lactamase inhibitor compounds	20160916
CA-3036557-A1	Beta-lactamase inhibitor compounds	20160916
CN-109715630-A	Beta-lactamase inhibitor compound	20160916
EP-3512851-A1	Beta-lactamase inhibitor compounds	20160916

PMID	Publication Date	Title	Journal
21346867	20100706	Development of a less toxic dichloroacetate analogue by docking and descriptor analysis	Bioinformation
21579169	20100421	(R)-1-Phenyl-ethyl-ammonium trifluoro-acetate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	64.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.92222
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.92222
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1