Methyl 4-(4-Fluorophenyl)-4-oxobutanoate - CAS 39560-31-1

Catalog:	BB024029
Product Name:	Methyl 4-(4-Fluorophenyl)-4-oxobutanoate
CAS:	39560-31-1
Synonyms:	4-(4-fluorophenyl)-4-oxobutanoic acid methyl ester; methyl 4-(4-fluorophenyl)-4-oxobutanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-(4-fluorophenyl)-4-oxobutanoate
Description:	Methyl 4-(4-Fluorophenyl)-4-oxobutanoate (CAS# 39560-31-1) is a useful research chemical.
Molecular Weight:	210.20
Molecular Formula:	C11H11FO3
Canonical SMILES:	COC(=O)CCC(=O)C1=CC=C(C=C1)F
InChI:	InChI=1S/C11H11FO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChI Key:	WVLOAJPINXKMAW-UHFFFAOYSA-N
Boiling Point:	315.7 °C at 760 mmHg
Density:	1.179 g/cm³
LogP:	1.96160

Publication Number	Title	Priority Date
WO-2020182990-A1	Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases	20190314
WO-2019178063-A1	Pyridin-2-yl alkylamino substituted hydroxamic acid and uses thereof	20180312
AU-2019236463-A1	Pyridin-2-yl alkylamino substituted hydroxamic acid and uses thereof	20180312
CN-112088007-A	Pyridin-2-ylalkylamino substituted hydroximic acids and uses thereof	20180312
EP-3765022-A1	Pyridin-2-yl alkylamino substituted hydroxamic acid and uses thereof	20180312

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.06922237
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.06922237
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8