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3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxaldehyde

3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxaldehyde - CAS 869496-66-2

Catalog:	BB038136
Product Name:	3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxaldehyde
CAS:	869496-66-2
Synonyms:	3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde
Description:	3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxaldehyde (CAS# 869496-66-2) is a useful research chemical.
Molecular Weight:	205.19
Molecular Formula:	C11H8FNO2
Canonical SMILES:	CC1=C(C(=NO1)C2=CC=C(C=C2)F)C=O
InChI:	InChI=1S/C11H8FNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChI Key:	GKFSKVZRERHBQP-UHFFFAOYSA-N
Appearance:	White to tan solid
MDL:	MFCD11656172
LogP:	2.60160

Publication Number	Title	Priority Date
AU-2010244552-A1	Isoxazole-pyrazole derivatives	20090505
CA-2760746-A1	Isoxazole-pyrazole derivatives	20090505
CA-2760746-C	Isoxazole-pyrazole derivatives	20090505
EP-2427455-A1	Isoxazole-pyrazole derivatives	20090505
EP-2427455-B1	Isoxazole-pyrazole derivatives	20090505

PMID	Publication Date	Title	Journal
15932909	20050801	Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents	Human reproduction (Oxford, England)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[452-76-6]
2,4-Difluorotoluene
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1597-32-6]
2-Amino-6-fluoropyridine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[351-28-0]
3'-Fluoroacetanilide

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.05390666
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.05390666
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2