5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde - CAS 640292-06-4

Name: 5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde
Brand: BOC Sciences
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Catalog:	BB032348
Product Name:	5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde
CAS:	640292-06-4
Synonyms:	5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
Description:	5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde (CAS# 640292-06-4) is a useful research chemical compound.
Molecular Weight:	191.16
Molecular Formula:	C10H6FNO2
Canonical SMILES:	C1=CC(=CC=C1C2=CC(=NO2)C=O)F
InChI:	InChI=1S/C10H6FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-6H
InChI Key:	ZCVSOFHLCCVOJD-UHFFFAOYSA-N
Boiling Point:	356.9 °C at 760 mmHg
Density:	1.303 g/cm³
MDL:	MFCD06798099
LogP:	2.29320

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020028150-A1	Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection	20180801
EP-3829559-A1	Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection	20180801
US-2021276992-A1	Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection	20180801
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.03825660
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.03825660
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5