Ethyl (2-bromo-5-fluorobenzoyl)acetate - CAS 1020058-49-4

Catalog:	BB000742
Product Name:	Ethyl (2-bromo-5-fluorobenzoyl)acetate
CAS:	1020058-49-4
Synonyms:	ethyl 3-(2-bromo-5-fluorophenyl)-3-oxopropanoate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 3-(2-bromo-5-fluorophenyl)-3-oxopropanoate
Description:	Ethyl (2-bromo-5-fluorobenzoyl)acetate (CAS# 1020058-49-4 ) is a useful research chemical.
Molecular Weight:	289.10
Molecular Formula:	C11H10BrFO3
Canonical SMILES:	CCOC(=O)CC(=O)C1=C(C=CC(=C1)F)Br
InChI:	InChI=1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)8-5-7(13)3-4-9(8)12/h3-5H,2,6H2,1H3
InChI Key:	CLHWFHWYVGINKD-UHFFFAOYSA-N
MDL:	MFCD09991887
LogP:	2.72410

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl 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
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Fluorinated Building Blocks

[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
[2202297-92-3]
3,3-Difluoro-1-azaspiro[3.4]octane hydrochloride
[34547-28-9]
p-Fluorophenylacetyl hydrazine
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate

Other Pyrimidines

[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	287.97973
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	287.97973
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8