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

Name: Ethyl (2-bromo-5-fluorobenzoyl)acetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

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