Methyl 4-fluorobenzoylacetate - CAS 63131-29-3

Name: Methyl 4-fluorobenzoylacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032012
Product Name:	Methyl 4-fluorobenzoylacetate
CAS:	63131-29-3
Synonyms:	methyl 3-(4-fluorophenyl)-3-oxopropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-(4-fluorophenyl)-3-oxopropanoate
Description:	Methyl 4-fluorobenzoylacetate (CAS# 63131-29-3) is a useful research chemical.
Molecular Weight:	196.18
Molecular Formula:	C10H9FO3
Canonical SMILES:	COC(=O)CC(=O)C1=CC=C(C=C1)F
InChI:	InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChI Key:	HGLVYXXPRSNKQN-UHFFFAOYSA-N
Boiling Point:	91 °C / 5 mmHg
Purity:	95 %
Density:	1.22 g/cm³
Appearance:	Clear yellow liquid
MDL:	MFCD00000355
LogP:	1.57150

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Other Pyrimidines

[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

Publication Number	Title	Priority Date
WO-2021190615-A1	Compounds as casein kinase inhibitors	20200327
WO-2021190616-A1	Methods for inhibiting casein kinases	20200327
JP-2021130079-A	Liquid fixed quantity discharge device	20200218
WO-2020243457-A1	Compounds and therapeutic uses thereof	20190529
RU-2686489-C1	Method of producing Î±-diazocarbonyl compounds in aqueous medium	20181227

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.05357231
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.05357231
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7